SCHEMBL7961129

SCHEMBL7961129

Cc1ccc(-c2nn(CC(F)(F)F)c(-c3nc4cc(C#N)ccc4[nH]3)c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.40
KCNH2 Q12809 2/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
RHEB Q15382 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.36
KIT P10721 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL10140107 0.84 NPBWR1 (0.39) PTGDR2CYP2C9NPBWR1CA12CA9
SCHEMBL10140104 0.83 NPBWR1 (0.36) KDM4EALDH1A1MAPTNPBWR1CA12
SCHEMBL7971680 0.82 F10 (0.52) F9F10F11CHEK2
SCHEMBL10140118 0.81 F10 (0.42) NPBWR1CA12CA9F9F10
SCHEMBL10140814 0.78 PKN1 (0.50) PTGDR2KCNH2DGAT1SOAT1PKN1
SCHEMBL10173220 0.77 CHEK2 (0.43) PTGDR2PKN1PKN2RHEBMEN1
SCHEMBL16258982 0.77 RHEB (0.40) PTGDR2KCNH2DGAT1SOAT1PKN1
SCHEMBL8514549 0.77 F9 (0.58) PTGDR2KCNH2DGAT1SOAT1PKN1
SCHEMBL1842216 0.75 PKN1 (0.59) PTGDR2KCNH2DGAT1SOAT1PKN1
SCHEMBL20307796 0.75 F9 (0.44) PKN1PKN2RHEBKDM4EMEN1

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 4 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-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 3200/4885KCNH2 2017/4885DGAT1 3061/4885

“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.