SCHEMBL5953064

SCHEMBL5953064

c1ccc(-c2ccc3[nH]c(-c4n[nH]c5ccccc45)nc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.69
FLT1 P17948 3/20 0.69
CHEK1 O14757 4/20 0.64
CDK2 P24941 5/20 0.61
CDK4 P11802 4/20 0.61
CCNA2 P20248 4/20 0.61
CCND1 P24385 4/20 0.61
CCND3 P30281 4/20 0.61
JAK2 O60674 2/20 0.61
TYK2 P29597 2/20 0.61
JAK3 P52333 2/20 0.61
JAK1 P23458 1/20 0.61
PDPK1 O15530 6/20 0.61
ITK Q08881 2/20 0.59
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALPL P05186 1/20 0.55
GAA P10253 1/20 0.55
IDO1 P14902 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL5952586 0.91 ITK (0.69) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5951323 0.91 FGFR1 (0.64) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5952244 0.91 FGFR1 (0.64) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5508118 0.89 PDPK1 (0.74) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5951869 0.88 FGFR1 (0.60) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5951976 0.88 WNT1 (0.69) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL3521153 0.86 CHEK1 (0.83) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5952338 0.86 PDPK1 (0.59) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5952893 0.86 FGFR1 (0.57) FGFR1FLT1CHEK1CDK2CDK4
SCHEMBL5952183 0.84 FGFR1 (0.61) FGFR1FLT1CHEK1CDK2CDK4

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
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-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 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 (3 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 FGFR1 583/4885FLT1 2074/4885CHEK1 286/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FGFR1 254/4885FLT1 1117/4885CHEK1 321/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FGFR1 48/4885FLT1 4/4885CHEK1 423/4885

“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.