SCHEMBL5952843

SCHEMBL5952843

COc1ccccc1-c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.64
CDK4 P11802 13/20 0.64
CCNA2 P20248 13/20 0.64
CCND1 P24385 13/20 0.64
CCND3 P30281 13/20 0.64
CHEK1 O14757 7/20 0.64
KDR P35968 6/20 0.64
JAK2 O60674 3/20 0.64
TYK2 P29597 3/20 0.64
JAK3 P52333 3/20 0.64
JAK1 P23458 2/20 0.64
FGFR1 P11362 3/20 0.57
FLT1 P17948 2/20 0.57
PRKCZ Q05513 1/20 0.56
ITK Q08881 3/20 0.50
PDPK1 O15530 2/20 0.50
LCK P06239 2/20 0.50
PLK4 O00444 1/20 0.50
AURKA O14965 1/20 0.50
CHUK O15111 1/20 0.50

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
SCHEMBL5951869 0.84 FGFR1 (0.60) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5508107 0.83 CDK4 (0.60) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5952183 0.83 FGFR1 (0.61) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5952893 0.82 FGFR1 (0.57) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5952685 0.82 FGFR1 (0.63) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL4919287 0.81 FGFR1 (0.66) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5953064 0.81 FGFR1 (0.69) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5951323 0.80 FGFR1 (0.64) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5248844 0.78 CDK4 (1.00) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5952586 0.78 ITK (0.69) CDK2CDK4CCNA2CCND1CCND3

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
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-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 CDK2 12/4885CDK4 44/4885CCNA2 606/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CDK2 13/4885CDK4 51/4885CCNA2 543/4885

“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.