SCHEMBL16258982

SCHEMBL16258982

Cn1nc(-c2ccc(Br)cc2)c(O)c1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
AHR P35869 1/20 0.37
CHEK2 O96017 1/20 0.36
ATR Q13535 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL7973324 0.92 PKN1 (0.47) RHEBPTGDR2PKN1PKN2CHEK2
SCHEMBL10173220 0.90 CHEK2 (0.43) RHEBPTGDR2CA12CA9PKN1
SCHEMBL7975506 0.86 SLC34A1 (0.39) RHEBPTGDR2CA12CA1CA9
SCHEMBL7975526 0.84 KIT (0.46) RHEBPTGDR2PKN1PKN2MAPT
SCHEMBL10172538 0.84 NPC1 (0.43) RHEBPTGDR2PKN1PKN2CHEK2
SCHEMBL10140814 0.84 PKN1 (0.50) RHEBPTGDR2PKN1PKN2CHEK2
SCHEMBL7959221 0.81 CHEK2 (0.53) PTGDR2CA12CA9PKN1PKN2
SCHEMBL7971500 0.81 PTGDR2 (0.49) RHEBPTGDR2PKN1PKN2CHEK2
SCHEMBL10140703 0.81 CA12 (0.39) PTGDR2CA12CA1CA9MAPT
SCHEMBL7982667 0.81 CHEK2 (0.52) PTGDR2PKN1PKN2CHEK2KCNH2

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-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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US 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 RHEB 1473/4885PTGDR2 3200/4885CA12 1599/4885

“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.