SCHEMBL7979892

SCHEMBL7979892

Cn1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)c(O)c1-c1nc2cc(CN)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 7/20 0.47
NTRK1 P04629 4/20 0.42
NTRK2 Q16620 2/20 0.42
MMP2 P08253 4/20 0.41
MMP13 P45452 4/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
DDX3X O00571 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL10140109 0.90 SMN1; SMN2 (0.44) HPSEDDX3X
SCHEMBL10140113 0.87 NPC1 (0.41) HPSEMMP2MMP13MMP9MMP8
SCHEMBL10172625 0.85 MMP2 (0.45) MMP2MMP13MMP9MMP8PTGDR2
SCHEMBL10172731 0.84 CA12 (0.40) PTGDR2
SCHEMBL7973901 0.83 NT5E (0.41) MMP2MMP13MMP9MMP8PTGDR2
SCHEMBL10172732 0.83 MAP2K4 (0.38) PTGDR2
SCHEMBL7971532 0.83 ALDH1A1 (0.50) HPSEMMP2MMP13MMP9MMP8
SCHEMBL7961139 0.82 F9 (0.47) HPSEMMP2MMP13MMP9MMP8
SCHEMBL10139913 0.80 F9 (0.43) PTGDR2
SCHEMBL10172658 0.80 CHEK2 (0.46)

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 6 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-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 HPSE 70/4885NTRK1 4506/4885NTRK2 4217/4885

“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.