SCHEMBL3373394

SCHEMBL3373394

CN1CCN(c2cccc(N)c2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.54
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
DRD2 P14416 8/20 0.43
DRD3 P35462 8/20 0.43
KCNH2 Q12809 4/20 0.43
PRMT1 Q99873 1/20 0.41
GRM2 Q14416 1/20 0.40
CAMK1D Q8IU85 1/20 0.39

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
SCHEMBL8256209 0.83 DRD2 (0.59) MEN1KMT2ANPC1RAB9ADRD2
SCHEMBL20313978 0.82 MEN1 (0.70) ADRA2CDDB1CRBNMEN1KMT2A
SCHEMBL12362755 0.81 DRD2 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4639126 0.81 PARP1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2234870 0.80 MEN1 (0.72) DDB1CRBNMEN1KMT2ANPC1
SCHEMBL31444802 0.79 ADRA2C (0.54) ADRA2CDDB1CRBNMEN1KMT2A
SCHEMBL14632229 0.79 DRD2 (0.46) MEN1KMT2ANPC1RAB9ADRD2
SCHEMBL20313985 0.79 HDAC1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL21349070 0.79 DRD2 (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12852521 0.79 CAMK1D (0.42) MEN1KMT2ANPC1RAB9ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
EP-4245295-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS Alkahest, Inc. (US) 2023-09-20 EP disclosed
EP-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1485093-A4 DI-ARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-12-28 EP disclosed
US-20050153986-A1 Di-aryl substituted tetrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
EP-1485093-A1 DI-ARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-12-15 EP disclosed
WO-2003077918-A1 DI-ARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-09-25 WO disclosed
WO-2003035619-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 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 (3 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-20050153986-A1 Di-aryl substituted tetrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C ADRA2C 439/4885DDB1 1603/4885CRBN 2523/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 ADRA2C 2484/4885DDB1 2521/4885CRBN 2406/4885
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 ADRA2C 4075/4885DDB1 814/4885CRBN 2275/4885

“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.