SCHEMBL7973324

SCHEMBL7973324

Cn1nc(-c2ccc(Br)cc2)c(O)c1-c1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.47
CHEK2 O96017 2/20 0.45
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
KCNH2 Q12809 2/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
ATR Q13535 1/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1G2 P78368 2/20 0.41
GSK3B P49841 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PIN1 Q13526 1/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
RHEB Q15382 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
SCHEMBL10140814 0.93 PKN1 (0.50) PKN1PKN2PTGDR2CHEK2METAP2
SCHEMBL16258982 0.92 RHEB (0.40) PKN1PKN2PTGDR2CHEK2KCNH2
SCHEMBL7971500 0.90 PTGDR2 (0.49) PKN1PKN2PTGDR2CHEK2METAP2
SCHEMBL7959221 0.90 CHEK2 (0.53) PKN1PKN2PTGDR2CHEK2METAP2
SCHEMBL7982667 0.89 CHEK2 (0.52) PKN1PKN2PTGDR2CHEK2METAP2
SCHEMBL10173220 0.81 CHEK2 (0.43) PKN1PKN2PTGDR2CHEK2METAP2
SCHEMBL7969075 0.81 PTGDR2 (0.44) PTGDR2CHEK2GSK3BSIRT2F9
SCHEMBL7969986 0.80 F10 (0.58) F9F10F11
SCHEMBL7959084 0.80 CHEK2 (0.60) PKN1PKN2CHEK2SIRT2HDAC6
SCHEMBL14816640 0.79 PKN1 (0.72) PKN1PKN2CHEK2METAP2METAP1

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 PKN1 2799/4885PKN2 2028/4885PTGDR2 3200/4885

“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.