SCHEMBL194305

SCHEMBL194305

Cn1c(Cl)nc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.44
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
GRM2 Q14416 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAD51 Q06609 1/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL2634929 0.85 SMN1; SMN2 (0.58) SMN1; SMN2MEN1HCRTR1KMT2AGRM2
SCHEMBL5551585 0.80 KDM4E (0.42) SMN1; SMN2MEN1HCRTR1KMT2AHTR3E
SCHEMBL8052547 0.79 RAB9A (0.59) SMN1; SMN2MEN1HCRTR1KMT2ANPC1
SCHEMBL2711754 0.78 NPC1 (0.45) MEN1HCRTR1KMT2AHTR3EHTR3B
SCHEMBL3967968 0.78 MEN1 (0.44) MEN1HCRTR1KMT2AHTR3EHTR3B
SCHEMBL25220378 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL6230772 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL28453909 0.78 MEN1 (0.44) MEN1HCRTR1KMT2AHTR3EHTR3B
SCHEMBL2857719 0.78 MEN1 (0.44) MEN1HCRTR1KMT2AHTR3EHTR3B
SCHEMBL103416 0.77 PIK3CD (0.47) SMN1; SMN2MEN1HCRTR1KMT2AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
WO-2019020981-A1 PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 WO disclosed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
EP-2400961-B1 MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-22 EP disclosed
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2017-10-12 US disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
EP-2205609-B1 HETEROCYCLE SUBSTITUTED PIPERAZINO DIHYDROTHIENO PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2017-03-29 EP disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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 (6 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SMN1; SMN2 3114/4885MEN1 3932/4885HCRTR1 3277/4885
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885MEN1 4348/4885HCRTR1 687/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885MEN1 4348/4885HCRTR1 687/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SMN1; SMN2 3114/4885MEN1 3932/4885HCRTR1 3277/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 SMN1; SMN2 2487/4885MEN1 3491/4885HCRTR1 2441/4885
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 SMN1; SMN2 2764/4885MEN1 4626/4885HCRTR1 3431/4885

“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.