SCHEMBL7970945

SCHEMBL7970945

CCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CHEK2 O96017 5/20 0.38
NPBWR1 P48145 1/20 0.38
GSK3B P49841 1/20 0.36
PTGDR2 Q9Y5Y4 7/20 0.36
TDP2 O95551 1/20 0.35
KDR P35968 2/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL7972406 0.92 NPBWR1 (0.39) HDAC3HDAC1HDAC8HDAC6NPBWR1
SCHEMBL7972259 0.91 FGFR1 (0.40) HDAC6PTGDR2
SCHEMBL10140028 0.90 MPL (0.43) HDAC3HDAC1HDAC8HDAC6NPBWR1
SCHEMBL7970581 0.89 F9 (0.40) CHEK2NPBWR1
SCHEMBL7971012 0.89 PTGDR2 (0.39) CHEK2GSK3BPTGDR2
SCHEMBL7973155 0.89 F9 (0.39) CHEK2NPBWR1
SCHEMBL16258924 0.88 PTGDR2 (0.41) HDAC3HDAC1HDAC8HDAC6GSK3B
SCHEMBL7972135 0.88 PDE10A (0.37) CHEK2PTGDR2
SCHEMBL7965824 0.88 SIRT2 (0.37) HDAC6CHEK2PTGDR2
SCHEMBL7975733 0.88 HDAC6 (0.49) HDAC3HDAC1HDAC8HDAC6GSK3B

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
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
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-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
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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 (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 HDAC3 60/4885HDAC1 238/4885HDAC8 161/4885

“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.