SCHEMBL7969075

SCHEMBL7969075

Cn1nc(-c2ccc(Br)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
NPBWR1 P48145 1/20 0.41
NT5E P21589 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
GSK3B P49841 1/20 0.39
CHEK2 O96017 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
SLC2A1 P11166 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL7970550 0.92 F9 (0.46) PTGDR2NPBWR1NT5EGSK3BCHEK2
SCHEMBL7969006 0.91 NPBWR1 (0.42) PTGDR2NPBWR1NT5EGSK3BCHEK2
SCHEMBL7971481 0.90 HIF1A (0.46) PTGDR2SIRT2NPBWR1NT5ECHEK2
SCHEMBL10139913 0.89 F9 (0.43) PTGDR2NPBWR1NT5EGSK3BCHEK2
SCHEMBL7959240 0.89 NPC1 (0.44) NPBWR1NT5EGSK3BCHEK2SLC2A1
SCHEMBL7969264 0.86 MPL (0.46) PTGDR2NPBWR1NT5EHDAC6GSK3B
SCHEMBL7970846 0.86 CHEK2 (0.44) PTGDR2NPBWR1NT5EGSK3BCHEK2
SCHEMBL10140025 0.85 MAPT (0.45) NPBWR1
SCHEMBL7975283 0.84 HDAC6 (0.48) HDAC6GSK3BCHEK2HDAC3HDAC1
SCHEMBL16258911 0.84 BAZ1A (0.43) MMP2MMP9MMP8MMP13NPBWR1

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 3200/4885SIRT2 988/4885MMP2 100/4885

“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.