SCHEMBL5952876

SCHEMBL5952876

COc1ccc2[nH]c(-c3[c]cn(C(N)=O)n3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHEK2 O96017 8/20 0.41
NPC1 O15118 4/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL5952924 0.88 CHEK2 (0.45) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL5952987 0.87 NPC1 (0.35) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL5952611 0.86 CHEK2 (0.41) KMT2ACHEK2KDM4E
SCHEMBL3578314 0.84 AMY1A (0.42) CHEK2F2F10PLGPLAU
SCHEMBL5952471 0.81 EGLN1 (0.44) CHEK2AMY1A
SCHEMBL5952191 0.80 HPSE (0.43) MEN1KMT2AMAPTCHEK2NPC1
SCHEMBL5546990 0.80 KDM4E (0.46) ALDH1A1KMT2AMAPTNPC1TP53
SCHEMBL5952050 0.79 CHEK2 (0.38) CHEK2
SCHEMBL5953399 0.76 PTGDR2 (0.43) CHEK2AMY1A
SCHEMBL5952304 0.76 CHEK2 (0.36) ALDH1A1MAPTCHEK2NPC1HPGD

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
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-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 ALDH1A1 1389/4885MEN1 2639/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885MEN1 1460/4885KMT2A 1844/4885

“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.