SCHEMBL635868

SCHEMBL635868

Cc1cc(=O)n2c3ccccc3n(C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.53
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2B P29275 2/20 0.44
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.41
NQO2 P16083 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
CA9 Q16790 1/20 0.41
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
ADORA2A P29274 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 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
SCHEMBL23295714 0.80 ADORA1 (0.45) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL13317080 0.73 ADORA1 (0.66) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL19411064 0.72 ADORA1 (0.51) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL636328 0.71 ADORA1 (0.62) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL11628053 0.70 SMN1; SMN2 (0.51) KDM4EALDH1A1L3MBTL1TP53HPGD
SCHEMBL8878415 0.69 MBD2 (0.48) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL12799837 0.69 ATM (0.53) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL19233749 0.69 ADORA1 (0.51) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL19233748 0.69 ADORA1 (0.47) ADORA1KDM4EALDH1A1L3MBTL1ADORA2B
SCHEMBL18698121 0.69 ADORA1 (0.44) ADORA1KDM4EALDH1A1L3MBTL1EGFR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US disclosed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US disclosed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 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 (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-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ADORA1 433/4885KDM4E 3735/4885ALDH1A1 3118/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ADORA1 433/4885KDM4E 3735/4885ALDH1A1 3118/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ADORA1 433/4885KDM4E 3735/4885ALDH1A1 3118/4885

“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.