SCHEMBL5952795

SCHEMBL5952795

O=C(O)c1ccc2c(-c3nc4cc(Cl)ccc4[nH]3)n[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.60
CHEK1 O14757 12/20 0.58
CHEK2 O96017 4/20 0.52
CDK1 P06493 1/20 0.51
KDR P35968 1/20 0.51
ITK Q08881 1/20 0.46

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
SCHEMBL5952668 0.87 CHEK1 (0.69) MAP2K4CHEK1CHEK2CDK1KDR
SCHEMBL5952883 0.86 MAP2K4 (0.60) MAP2K4CHEK1CHEK2CDK1KDR
SCHEMBL3535642 0.84 CHEK1 (0.80) CHEK1CDK1KDRITK
SCHEMBL31172388 0.84 CHEK1 (0.58) MAP2K4CHEK1CHEK2ITK
SCHEMBL5248306 0.82 CHEK1 (0.86) CHEK1CDK1KDR
SCHEMBL5951932 0.82 CHEK1 (0.69) MAP2K4CHEK1CDK1KDRITK
SCHEMBL4919171 0.82 FGFR1 (0.64) MAP2K4CHEK1CHEK2CDK1KDR
SCHEMBL5951619 0.80 CDK4 (0.55) CHEK1CHEK2KDR
SCHEMBL31172403 0.79 CHEK1 (0.70) MAP2K4CHEK1CHEK2CDK1KDR
SCHEMBL144764 0.78 MAP2K4 (0.65) MAP2K4CHEK1ITK

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 7 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-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 MAP2K4 252/4885CHEK1 286/4885CHEK2 239/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP2K4 376/4885CHEK1 321/4885CHEK2 362/4885

“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.