SCHEMBL5951727

SCHEMBL5951727

CCOc1cc2[nH]c(-c3nn(C4CCCCO4)cc3N)nc2cc1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.34
F10 P00742 2/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
SYK P43405 1/20 0.34
ITK Q08881 1/20 0.34
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
ATR Q13535 1/20 0.33
ABL1 P00519 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5952289 0.89 ATR (0.35) F10PLGPLAUF2PLAT
SCHEMBL3926435 0.89 CHEK2 (0.32) F10PLGPLAUF2PLAT
SCHEMBL5952513 0.88 EGLN1 (0.37) EGLN1F10PLGPLAUSYK
SCHEMBL3922503 0.87 RUNX1 (0.36) F10PLGPLAUF2PLAT
SCHEMBL3925039 0.86 FGFR1 (0.36)
SCHEMBL13373566 0.86 SYK (0.35) EGLN1F10PLGPLAUSYK
SCHEMBL13374024 0.83 ALDH1A1 (0.42) EGLN1SYKITKABL1ALDH1A1
SCHEMBL3934575 0.83 SPIN1 (0.35) F10PLGPLAUF2PLAT
SCHEMBL13375054 0.82 ABL1 (0.33) F10PLGPLAUF2PLAT
SCHEMBL13374027 0.82 SYK (0.53) EGLN1F10PLGPLAUSYK

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 7 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-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 758/4885F10 1209/4885PLG 975/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A EGLN1 601/4885F10 961/4885PLG 1499/4885

“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.