SCHEMBL5952307

SCHEMBL5952307

CCc1cc2nc(-c3n[nH]cc3N)[nH]c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.38
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
AMY1A P0DUB6 5/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
ATM Q13315 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
MAP3K8 P41279 1/20 0.34
METAP1 P53582 2/20 0.34
METAP2 P50579 1/20 0.34
CBFB Q13951 1/20 0.34
HPSE Q9Y251 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL5952198 0.86 FABP6 (0.51) FABP6PDGFRBFGFR1KDRAMY1A
SCHEMBL6284709 0.83 CHEK2 (0.38) NPC1RAB9AHPSEKDM4EALDH1A1
SCHEMBL5951688 0.82 AMY1A (0.42) FABP6PDGFRBFGFR1KDRAMY1A
SCHEMBL5952131 0.82 AMY1A (0.41) FABP6PDGFRBFGFR1KDRAMY1A
SCHEMBL5952615 0.81 GAA (0.46) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL13374060 0.79 HPSE (0.40) NPC1RAB9AHPSEKDM4EALDH1A1
SCHEMBL4788661 0.78 PLG (0.40) AMY1ANPC1RAB9ACBFBHPSE
SCHEMBL5953123 0.77 HPSE (0.41) AMY1ANPC1RAB9AMAP3K8HPSE
SCHEMBL13375197 0.76 CBFB (0.47) AMY1ANPC1RAB9ACBFBKDM4E
SCHEMBL546495 0.76 AMY1A (0.46) AMY1ANPC1CBFBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
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
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS 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 (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 FABP6 3234/4885PDGFRB 909/4885FGFR1 583/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FABP6 3537/4885PDGFRB 1257/4885FGFR1 254/4885

“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.