SCHEMBL167558

SCHEMBL167558

Cn1nc(C(=O)Cl)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.58
PLA2G10 O15496 1/20 0.48
RPA1 P27694 4/20 0.47
ALDH1A1 P00352 1/20 0.47
MME P08473 1/20 0.46
KCNH2 Q12809 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL570061 0.86 RPA1 (0.63) GRM5PLA2G10RPA1ALDH1A1MME
SCHEMBL17324771 0.85 GRM5 (0.56) GRM5PLA2G10RPA1ALDH1A1MME
SCHEMBL4296485 0.81 GRM5 (0.55) GRM5PLA2G10RPA1ALDH1A1MME
SCHEMBL17321482 0.81 GRM5 (0.52) GRM5PLA2G10RPA1ALDH1A1MME
SCHEMBL20647060 0.81 GRM5 (0.52) GRM5PLA2G10RPA1ALDH1A1MME
SCHEMBL25139616 0.81 GRM5 (0.52) GRM5PLA2G10RPA1ALDH1A1MME
SCHEMBL28952698 0.81 SMPD1 (0.62) GRM5PLA2G10RPA1MMEMALT1
SCHEMBL2552942 0.80 GRM5 (0.61) GRM5PLA2G10RPA1MMEMALT1
SCHEMBL1779589 0.77 CA9 (0.59) GRM5ALDH1A1MAPTCYP1A2MEN1
Hydrochloric Acid SCHEMBL6313786 0.76 PLA2G10 (0.48) GRM5PLA2G10RPA1ALDH1A1MME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-12-09 US disclosed
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
US-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-02-13 US disclosed
US-10351531-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2019-07-16 US disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
US-20170320831-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2017-11-09 US disclosed
US-9732039-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto Arena Pharmeceuticals, Inc. (US) 2017-08-15 US disclosed
EP-3190109-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven (BE) 2017-07-12 EP disclosed
EP-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-11-10 US disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 US disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed
EP-2423208-A1 Pharmaceutically active compounds as Axl inhibitors Lead Discovery Center GmbH (DE) 2012-02-29 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-01-07 US disclosed
CN-101611013-A As 5-HT2APyrazole derivatives of serotonin receptor modulators for the treatment of disorders related thereto ARENA PHARM INC (US) 2009-12-23 CN disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2066641-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008042388-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B GRM5 41/4885PLA2G10 1449/4885RPA1 4856/4885
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN GRM5 1069/4885PLA2G10 1281/4885RPA1 4707/4885
US-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C GRM5 36/4885PLA2G10 1408/4885RPA1 4862/4885
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN GRM5 963/4885PLA2G10 1240/4885RPA1 4696/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GRM5 2650/4885PLA2G10 2972/4885RPA1 4708/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN GRM5 963/4885PLA2G10 1240/4885RPA1 4696/4885
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B GRM5 41/4885PLA2G10 1449/4885RPA1 4856/4885
US-20170320831-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR3A GRM5 41/4885PLA2G10 1467/4885RPA1 4857/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GRM5 2650/4885PLA2G10 2972/4885RPA1 4708/4885
US-10351531-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR5A, HTR2A, HTR3A GRM5 41/4885PLA2G10 1467/4885RPA1 4857/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GRM5 2650/4885PLA2G10 2972/4885RPA1 4708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.