SCHEMBL5953315

SCHEMBL5953315

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.58
ITK Q08881 2/20 0.55
MAPK3 P27361 1/20 0.53
MAPK1 P28482 1/20 0.53
CHEK1 O14757 7/20 0.51
PDPK1 O15530 3/20 0.49
CDK1 P06493 2/20 0.49
MAPK10 P53779 1/20 0.49
FGFR1 P11362 2/20 0.47
FLT1 P17948 2/20 0.47
PAK4 O96013 2/20 0.47
CDK2 P24941 2/20 0.47
KDR P35968 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
CHUK O15111 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47

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
SCHEMBL5952992 0.91 FLT3 (0.56) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL14214565 0.90 FLT3 (0.58) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL5952801 0.90 FLT3 (0.58) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL4914894 0.90 ITK (0.67) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL13375064 0.88 FLT3 (0.61) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL5952612 0.88 FLT3 (0.58) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL5952535 0.88 MAPT (0.59) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL4923261 0.88 FLT3 (0.58) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL13373781 0.88 ITK (0.55) FLT3ITKMAPK3MAPK1CHEK1
SCHEMBL13373660 0.87 FLT3 (0.56) FLT3ITKMAPK3MAPK1CHEK1

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 14 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-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 FLT3 161/4885ITK 979/4885MAPK3 76/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FLT3 176/4885ITK 1317/4885MAPK3 78/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FLT3 80/4885ITK 417/4885MAPK3 85/4885

“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.