SCHEMBL5952926

SCHEMBL5952926

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.73
CDK1 P06493 1/20 0.63
KDR P35968 4/20 0.60
FGFR1 P11362 2/20 0.59
FLT1 P17948 2/20 0.59
CDK2 P24941 8/20 0.56
CDK4 P11802 7/20 0.56
CCNA2 P20248 7/20 0.56
CCND1 P24385 7/20 0.56
CCND3 P30281 7/20 0.56
JAK2 O60674 3/20 0.56
JAK3 P52333 3/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
PAK4 O96013 2/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
MAP4K4 O95819 1/20 0.54
ABL1 P00519 1/20 0.54
LCK P06239 1/20 0.54

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
SCHEMBL1225453 0.91 PAK4 (0.63) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL13373872 0.89 FGFR1 (0.59) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL3535642 0.86 CHEK1 (0.80) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL5252544 0.85 CHEK1 (1.00) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL12369775 0.81 ATR (0.53) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL5951804 0.80 CHEK1 (0.86) CHEK1CDK1KDR
SCHEMBL5951339 0.79 CHEK1 (0.69) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL5952626 0.79 CHEK1 (0.66) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL5951807 0.79 CHEK1 (0.66) CHEK1CDK1KDRFGFR1FLT1
SCHEMBL5253261 0.78 CHEK1 (1.00) CHEK1CDK1KDRFGFR1FLT1

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 10 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
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.