SCHEMBL5952813

SCHEMBL5952813

CN1CCN(c2ccc3nc(-c4n[nH]c5ccc(-c6cncc7ccccc67)cc45)[nH]c3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 13/20 0.70
FLT1 P17948 4/20 0.70
KDR P35968 4/20 0.69
CDK1 P06493 2/20 0.69
RET P07949 2/20 0.69
ERBB2 P04626 1/20 0.69
PDGFRA P16234 1/20 0.58
FGFR2 P21802 1/20 0.58
FGFR4 P22455 1/20 0.58
FGFR3 P22607 1/20 0.58
CDK4 P11802 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK2 P24941 1/20 0.56
CCND3 P30281 1/20 0.56
CLK2 P49760 2/20 0.54
CLK3 P49761 2/20 0.54
DYRK1A Q13627 2/20 0.54
FLT3 P36888 1/20 0.53
ABL1 P00519 1/20 0.51

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
SCHEMBL5514228 0.94 KDR (0.63) FGFR1FLT1KDRCDK1RET
SCHEMBL15868925 0.85 FGFR1 (0.80) FGFR1FLT1KDRPDGFRAFGFR2
SCHEMBL3542101 0.85 FGFR1 (0.80) FGFR1FLT1KDRPDGFRAFGFR2
SCHEMBL4035837 0.83 KDR (0.67) FGFR1FLT1KDRCDK1RET
SCHEMBL14906539 0.83 FGFR1 (0.90) FGFR1FLT1KDRPDGFRAFGFR2
SCHEMBL3536992 0.83 FGFR1 (0.73) FGFR1FLT1KDRRETPDGFRA
SCHEMBL5513117 0.81 MAP3K8 (0.63) FGFR1FLT1KDRCDK1ERBB2
SCHEMBL3535921 0.81 FGFR1 (0.76) FGFR1FLT1KDRPDGFRAFGFR2
SCHEMBL31006250 0.81 FGFR1 (0.76) FGFR1FLT1KDRPDGFRAFGFR2
SCHEMBL3536819 0.80 FGFR1 (0.71) FGFR1FLT1KDRPDGFRAFGFR2

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
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-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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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 FGFR1 583/4885FLT1 2074/4885KDR 2231/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FGFR1 254/4885FLT1 1117/4885KDR 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.