SCHEMBL5952873

SCHEMBL5952873

CC(C)(C)c1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
HDAC6 Q9UBN7 2/20 0.55
PDPK1 O15530 3/20 0.55
FGFR1 P11362 2/20 0.55
FLT3 P36888 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
CHEK1 O14757 2/20 0.55
PLK4 O00444 1/20 0.55
AURKA O14965 1/20 0.55
CHUK O15111 1/20 0.55
JAK2 O60674 1/20 0.55
ROCK2 O75116 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55
CHEK2 O96017 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
PRKCG P05129 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
SCHEMBL5952013 0.88 DGAT1 (0.57) PDPK1CHEK1KDRTNKSTNKS2
SCHEMBL4916396 0.88 PDE10A (0.53) CNR1CNR2GPR55CHEK1JAK2
SCHEMBL5952146 0.88 PDE10A (0.53) CNR1CNR2GPR55CHEK1JAK2
SCHEMBL5952686 0.87 NPC1 (0.50) CHEK1CHEK2CDK1KDRTNKS
SCHEMBL5951223 0.84 MEN1 (0.50) CHEK1CHEK2CDK1KDRTNKS
SCHEMBL5952104 0.84 NPC1 (0.52) CHEK1JAK2CHEK2CDK1RET
SCHEMBL5953232 0.84 ITK (0.52) CLK4CHEK1JAK2PAK4CDK2
SCHEMBL5952470 0.84 NPC1 (0.55) PDPK1FLT3CHEK1AURKACHEK2
SCHEMBL5952119 0.84 HDAC3 (0.45) CNR1CNR2GPR55HDAC6PDPK1
SCHEMBL5951740 0.83 PDE10A (0.49) PDPK1FGFR1FLT3CLK4CHEK1

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
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-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
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 (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 CNR1 3649/4885CNR2 3414/4885GPR55 2120/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CNR1 2832/4885CNR2 3680/4885GPR55 2727/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 CNR1 424/4885CNR2 369/4885GPR55 445/4885

“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.