SCHEMBL5952471

SCHEMBL5952471

COc1cc2nc(-c3[c]cn(C(N)=O)n3)[nH]c2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.44
CHEK2 O96017 4/20 0.40
S1PR2 O95136 1/20 0.40
RHEB Q15382 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
AMY1A P0DUB6 8/20 0.37
FOXO1 Q12778 1/20 0.36
F9 P00740 1/20 0.36

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
SCHEMBL3578314 0.91 AMY1A (0.42) EGLN1CHEK2AMY1A
SCHEMBL5953399 0.84 PTGDR2 (0.43) CHEK2RHEBAMY1A
SCHEMBL5952191 0.81 HPSE (0.43) EGLN1CHEK2AMY1A
SCHEMBL5952876 0.81 ALDH1A1 (0.44) CHEK2AMY1A
SCHEMBL5952050 0.80 CHEK2 (0.38) CHEK2
SCHEMBL5952660 0.77 CHEK2 (0.37) CHEK2AMY1A
SCHEMBL5953327 0.76 SYK (0.43) EGLN1CHEK2
SCHEMBL5952304 0.76 CHEK2 (0.36) CHEK2AMY1A
SCHEMBL5953219 0.76 CHEK2 (0.36) CHEK2
SCHEMBL5952924 0.74 CHEK2 (0.45) CHEK2

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 EGLN1 758/4885CHEK2 239/4885S1PR2 3845/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A EGLN1 601/4885CHEK2 362/4885S1PR2 3490/4885

“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.