SCHEMBL5952998

SCHEMBL5952998

Cc1cc2nc(-c3n[nH]c4c3CCCCC4)[nH]c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
METAP1 P53582 2/20 0.42
METAP2 P50579 1/20 0.42
CBFB Q13951 1/20 0.42
AMY1A P0DUB6 6/20 0.41
FABP6 P51161 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
LMNA P02545 1/20 0.40
MAPK10 P53779 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL5952112 0.99 MAPT (0.46) MAPTHPGDMETAP1METAP2CBFB
SCHEMBL5952714 0.96 MAPT (0.49) MAPTHPGDMETAP1METAP2CBFB
SCHEMBL5951979 0.83 SOS1 (0.45) METAP1METAP2CBFBAMY1AFABP6
SCHEMBL6664934 0.82 CYP2C19 (0.37) METAP1METAP2CBFBAMY1AALDH1A1
SCHEMBL5952717 0.82 ITK (0.42) METAP1METAP2CBFBAMY1AFABP6
SCHEMBL4893772 0.80 AURKA (0.55) MAPTHPGD
SCHEMBL5953484 0.78 MAPK1 (0.41) LMNANPC1HPSE
SCHEMBL4943734 0.77 AURKA (0.57) MAPTHPGDLMNAMAPK10ALDH1A1
SCHEMBL5953090 0.76 MAPK1 (0.41) LMNANPC1HPSE
SCHEMBL5952249 0.76 MAPK1 (0.41) NPC1HPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAPT 3479/4885HPGD 1307/4885METAP1 3011/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPT 4186/4885HPGD 1623/4885METAP1 1932/4885

“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.