SCHEMBL7971071

SCHEMBL7971071

Cc1ccc(-c2nn(C)c(-c3nc4cc(F)c(C#N)cc4[nH]3)c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
KDM1A O60341 2/20 0.37
MAP3K8 P41279 1/20 0.37
NPBWR1 P48145 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CHEK2 O96017 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL10140814 0.83 PKN1 (0.50) F9F10F11PTGDR2NPBWR1
SCHEMBL7962282 0.82 PTGDR2 (0.41) F9F10F11PTGDR2NPBWR1
SCHEMBL7973329 0.82 F9 (0.45) F9F10F11CYP11B1CYP11B2
SCHEMBL10140099 0.81 ALDH1A1 (0.40) F9F10F11CA12CA9
SCHEMBL7970637 0.80 RHEB (0.41) F9F10F11PTGDR2KDM4E
SCHEMBL10172619 0.78 DHODH (0.39) MAP3K8CA12CA9CHEK2KDM4E
SCHEMBL7970581 0.77 F9 (0.40) F9F10F11NPBWR1CA12
SCHEMBL7971500 0.76 PTGDR2 (0.49) F9F10F11PTGDR2CHEK2
SCHEMBL7959221 0.76 CHEK2 (0.53) F9F10F11PTGDR2CA12
SCHEMBL7973324 0.76 PKN1 (0.47) F9F10F11PTGDR2CHEK2

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 F9 1/4885F10 11/4885F11 4/4885

“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.