SCHEMBL5951804

SCHEMBL5951804

O=C(Nc1ccccc1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.86
CDK1 P06493 1/20 0.86
KDR P35968 2/20 0.81
PDPK1 O15530 1/20 0.63

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
SCHEMBL5250020 0.93 CHEK1 (1.00) CHEK1CDK1KDRPDPK1
SCHEMBL5952417 0.93 CHEK1 (0.81) CHEK1CDK1KDRPDPK1
SCHEMBL5249191 0.90 KDR (1.00) CHEK1CDK1KDRPDPK1
SCHEMBL5953062 0.90 CHEK1 (0.74) CHEK1CDK1KDRPDPK1
SCHEMBL4915031 0.89 CHEK1 (0.70) CHEK1CDK1KDRPDPK1
SCHEMBL5250915 0.86 CHEK1 (1.00) CHEK1CDK1KDRPDPK1
SCHEMBL5250770 0.86 CHEK1 (1.00) CHEK1CDK1KDRPDPK1
SCHEMBL3535642 0.86 CHEK1 (0.80) CHEK1CDK1KDRPDPK1
SCHEMBL5953083 0.83 CHEK1 (0.78) CHEK1CDK1KDRPDPK1
SCHEMBL5952267 0.83 CHEK1 (0.67) CHEK1CDK1KDRPDPK1

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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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 CHEK1 286/4885CDK1 36/4885KDR 2231/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CHEK1 321/4885CDK1 5/4885KDR 2609/4885

“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.