SCHEMBL10172717

SCHEMBL10172717

CC(=O)Nc1ccc(C#N)cc1NC(=O)c1nn(Cc2ccccc2)c(-c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 7/20 0.39
GPR6 P46095 1/20 0.38
PTGER1 P34995 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
P2RY14 Q15391 1/20 0.37
CYP19A1 P11511 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL10140161 0.80 ACHE (0.40) PTGER1P2RY14CYP2D6
SCHEMBL20307746 0.78 HDAC1 (0.50)
SCHEMBL7961501 0.72 ACHE (0.35) GPR6PTGER1CYP2D6
SCHEMBL20307720 0.70 CYP19A1 (0.63) MAPTCYP19A1CYP2C9MAPK1
SCHEMBL10173084 0.69 HDAC1 (0.47)
SCHEMBL10172719 0.69 HDAC1 (0.43) NPSR1HSD17B10GPR6MAPTMEN1
SCHEMBL10140271 0.69 CNR1 (0.47) NPSR1MAPTMEN1KMT2A
SCHEMBL7977426 0.67 CNR1 (0.48) MAPT
SCHEMBL7973174 0.67 HDAC1 (0.42) NPSR1HSD17B10GPR6MAPTMEN1
SCHEMBL7972885 0.66 CHEK2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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 (1 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 NPSR1 3072/4885HSD17B10 929/4885BRD4 3960/4885

“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.