SCHEMBL7973410

SCHEMBL7973410

Cn1nc(-c2ccc(Cn3cccn3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
KIT P10721 3/20 0.34
GSK3B P49841 1/20 0.34
ADCY10 Q96PN6 1/20 0.34
KLKB1 P03952 2/20 0.34
AURKA O14965 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL16258924 0.90 PTGDR2 (0.41) PTGDR2KITGSK3BHDAC3HDAC1
SCHEMBL7970945 0.86 HDAC3 (0.39) PTGDR2GSK3BHDAC3HDAC1HDAC8
SCHEMBL7972406 0.85 NPBWR1 (0.39) PTGDR2GSK3BHDAC3HDAC1HDAC2
SCHEMBL7975733 0.84 HDAC6 (0.49) KITGSK3BHDAC3HDAC1HDAC2
SCHEMBL10140005 0.84 PTGDR2 (0.33) PTGDR2KITKLKB1HDAC3HDAC1
SCHEMBL7971012 0.84 PTGDR2 (0.39) PTGDR2GSK3BCA12CA9
SCHEMBL10140028 0.83 MPL (0.43) PTGDR2GSK3BHDAC3HDAC1HDAC2
SCHEMBL7972135 0.82 PDE10A (0.37) PTGDR2CA12CA9
SCHEMBL7971018 0.82 HSD17B10 (0.37) PTGDR2CA12CA9
SCHEMBL7970581 0.82 F9 (0.40) CA12CA9

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 PTGDR2 3200/4885NOS3 1645/4885NOS1 3573/4885

“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.