SCHEMBL7971012

SCHEMBL7971012

Cn1nc(-c2ccc(Cc3ccccc3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.39
CHEK2 O96017 4/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
GSK3B P49841 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
SLC2A1 P11166 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 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
SCHEMBL7972135 0.91 PDE10A (0.37) PTGDR2CHEK2CA12CA9
SCHEMBL7971018 0.91 HSD17B10 (0.37) PTGDR2GAATSHRCA12CA9
SCHEMBL7970945 0.89 HDAC3 (0.39) PTGDR2CHEK2GSK3B
SCHEMBL16258924 0.88 PTGDR2 (0.41) PTGDR2GSK3B
SCHEMBL7972406 0.87 NPBWR1 (0.39) PTGDR2GSK3B
SCHEMBL7970581 0.87 F9 (0.40) CHEK2CA12CA9
SCHEMBL7972259 0.86 FGFR1 (0.40) PTGDR2FGFR1
SCHEMBL7973155 0.86 F9 (0.39) CHEK2CA12CA9
SCHEMBL10140028 0.86 MPL (0.43) PTGDR2GSK3B
SCHEMBL7971780 0.85 FGFR2 (0.40) PTGDR2FGFR1

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 3200/4885CHEK2 4794/4885GAA 554/4885

“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.