SCHEMBL5953387

SCHEMBL5953387

CC(C)C(=O)Nc1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.58
FGFR1 P11362 2/20 0.55
FLT1 P17948 2/20 0.55
CHEK1 O14757 6/20 0.53
CDK1 P06493 2/20 0.52
ITK Q08881 2/20 0.51
CLK2 P49760 3/20 0.50
DYRK1A Q13627 3/20 0.50
CLK3 P49761 2/20 0.50
KDR P35968 2/20 0.50
LRRK2 Q5S007 1/20 0.49
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
CHUK O15111 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
ABL1 P00519 1/20 0.48

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
SCHEMBL13375027 0.84 PDPK1 (0.57) PDPK1FGFR1FLT1CHEK1CDK1
SCHEMBL2242067 0.81 NR2E3 (0.60)
SCHEMBL15862120 0.80 CLK2 (0.72) CLK2DYRK1ACLK3
SCHEMBL4919208 0.79 PAK4 (0.60) PDPK1FGFR1FLT1CHEK1CDK1
SCHEMBL4915031 0.77 CHEK1 (0.70) PDPK1FGFR1FLT1CHEK1CDK1
SCHEMBL5953092 0.77 FGFR1 (0.59) PDPK1FGFR1FLT1CHEK1CDK1
SCHEMBL4912822 0.77 FGFR1 (0.59) PDPK1FGFR1FLT1CHEK1CDK1
SCHEMBL4919649 0.76 FLT3 (0.60) PDPK1FGFR1FLT1CHEK1CDK1
SCHEMBL4919171 0.76 FGFR1 (0.64) PDPK1FGFR1FLT1CHEK1CDK1
SCHEMBL13373849 0.76 FGFR1 (0.60) PDPK1FGFR1FLT1CHEK1CDK1

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 12 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
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-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 PDPK1 291/4885FGFR1 583/4885FLT1 2074/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDPK1 216/4885FGFR1 254/4885FLT1 1117/4885

“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.