SCHEMBL5953327

SCHEMBL5953327

CCOc1cc2[nH]c(-c3[c]cn(C(N)=O)n3)nc2cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
ITK Q08881 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
PLG P00747 4/20 0.41
PLAU P00749 4/20 0.41
F10 P00742 3/20 0.41
CHEK2 O96017 3/20 0.37
F2 P00734 2/20 0.35
PLAT P00750 2/20 0.35
HPSE Q9Y251 2/20 0.33
NPC1 O15118 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DGAT1 O75907 2/20 0.32
KCNH2 Q12809 2/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL5952660 0.83 CHEK2 (0.37) CHEK2HPSENPC1RAB9AKDM4E
SCHEMBL3578314 0.82 AMY1A (0.42) EGLN1PLGPLAUF10CHEK2
SCHEMBL5952050 0.82 CHEK2 (0.38) CHEK2
SCHEMBL5952924 0.82 CHEK2 (0.45) CHEK2NPC1MAPTRAB9ATP53
SCHEMBL5952191 0.78 HPSE (0.43) EGLN1CHEK2HPSENPC1MAPT
SCHEMBL5952304 0.78 CHEK2 (0.36) CHEK2HPSENPC1MAPTRAB9A
SCHEMBL5952471 0.76 EGLN1 (0.44) EGLN1CHEK2
SCHEMBL5953399 0.75 PTGDR2 (0.43) CHEK2HPSE
SCHEMBL3930935 0.74 FGFR1 (0.40) EGLN1CHEK2NPC1MAPTRAB9A
SCHEMBL5952876 0.74 ALDH1A1 (0.44) PLGPLAUF10CHEK2F2

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 11 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-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 SYK 338/4885ITK 979/4885EGLN1 758/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A SYK 435/4885ITK 1317/4885EGLN1 601/4885

“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.