SCHEMBL22158113

SCHEMBL22158113

COc1ncc(-c2ccccc2)c2nc(N)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CASP1 P29466 1/20 0.46
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
NOS1 P29475 1/20 0.40
SQOR Q9Y6N5 2/20 0.39
KMT2A Q03164 1/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP12 P39900 1/20 0.38
RECQL P46063 1/20 0.38
MASP2 O00187 1/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37

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
SCHEMBL29889184 1.00 MAPT (0.46) MAPTCASP1CDK5CDK5R1NOS1
SCHEMBL20765684 0.79 PIK3CD (0.38) MAPT
SCHEMBL29889203 0.77 FGFR1 (0.41) MAPTCDK5CDK5R1KMT2AADORA1
SCHEMBL20765041 0.77 FGFR1 (0.41) MAPTCDK5CDK5R1KMT2AADORA1
SCHEMBL20795140 0.74 FGFR1 (0.41) MAPTCDK5CDK5R1KMT2AADORA1
SCHEMBL30439469 0.74 MAPT (0.48) MAPTCASP1SQORKMT2AADORA1
SCHEMBL20764953 0.74 MAPT (0.48) MAPTCASP1SQORKMT2AADORA1
SCHEMBL166216 0.72 USP30 (0.49) MAPTNOS1KMT2AADORA1ADORA2A
SCHEMBL20764961 0.72 MAPT (0.56) MAPTCASP1SQORKMT2AADORA1
SCHEMBL30439186 0.72 MAPT (0.56) MAPTCASP1SQORKMT2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US claimed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 MAPT 4768/4885CASP1 915/4885CDK5 755/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 MAPT 4825/4885CASP1 1512/4885CDK5 618/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 MAPT 4768/4885CASP1 915/4885CDK5 755/4885

“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.