SCHEMBL5952513

SCHEMBL5952513

CCOc1cc2[nH]c(-c3nn(C4CCCCO4)cc3C(N)=O)nc2cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.37
SYK P43405 1/20 0.36
ITK Q08881 1/20 0.36
PLG P00747 6/20 0.36
PLAU P00749 6/20 0.36
F10 P00742 5/20 0.36
F2 P00734 5/20 0.36
PLAT P00750 4/20 0.36
ABL1 P00519 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
CHEK2 O96017 1/20 0.33
ATR Q13535 2/20 0.33
KCNH2 Q12809 2/20 0.33
GCK P35557 2/20 0.32
BRAF P15056 1/20 0.32
DGAT1 O75907 1/20 0.32
ADORA2A P29274 1/20 0.32
SRC P12931 1/20 0.32
PARP1 P09874 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
SCHEMBL5952359 0.90 PLG (0.34) EGLN1PLGPLAUF10F2
SCHEMBL4125202 0.90 CHEK2 (0.38) ITKPLGPLAUF10F2
SCHEMBL3922498 0.88 CHEK2 (0.41) PLGPLAUF10F2PLAT
SCHEMBL5951727 0.88 EGLN1 (0.34) EGLN1SYKITKPLGPLAU
SCHEMBL13374024 0.85 ALDH1A1 (0.42) EGLN1SYKITKABL1BRAF
SCHEMBL3935957 0.84 CHEK2 (0.40) PLGPLAUF10F2PLAT
SCHEMBL13373566 0.84 SYK (0.35) EGLN1SYKITKPLGPLAU
SCHEMBL13374027 0.83 SYK (0.53) EGLN1SYKITKPLGPLAU
SCHEMBL13374025 0.83 ALDH1A1 (0.39) EGLN1SYKITKABL1ATR
SCHEMBL5951302 0.83 ALDH1A1 (0.39) EGLN1SYKITKABL1BRAF

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 6 patents. claimed = in the patent's claims; disclosed = body only.

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

“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.