SCHEMBL5952296

SCHEMBL5952296

COc1cc2nc(-c3n[nH]cc3N)[nH]c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 14/20 0.43
EGLN1 Q9GZT9 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RHEB Q15382 1/20 0.38
CHEK1 O14757 1/20 0.38
HDAC11 Q96DB2 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
SCHEMBL546495 0.89 AMY1A (0.46) AMY1ANPC1CHEK1
SCHEMBL5952736 0.86 RHEB (0.48) GAANPC1RHEBCHEK1
SCHEMBL5952131 0.82 AMY1A (0.41) AMY1AGAANPC1RHEB
SCHEMBL5952630 0.81 AMY1A (0.49) AMY1AEGLN1GAANPC1HDAC11
SCHEMBL13375197 0.79 CBFB (0.47) AMY1AGAANPC1RHEBCHEK1
SCHEMBL5952198 0.78 FABP6 (0.51) AMY1ANPC1
SCHEMBL4788661 0.78 PLG (0.40) AMY1AGAANPC1
SCHEMBL5952765 0.76 NPC1 (0.48) AMY1ANPC1
SCHEMBL17276086 0.76 FABP6 (0.51) AMY1AEGLN1GAANPC1HDAC11
SCHEMBL5951395 0.76 ALDH1A1 (0.40) AMY1AGAANPC1

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 AMY1A 4001/4885EGLN1 758/4885GAA 264/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A AMY1A 2362/4885EGLN1 601/4885GAA 352/4885

“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.