SCHEMBL7972895

SCHEMBL7972895

N#Cc1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.51
CHEK2 O96017 1/20 0.48
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3B P49841 1/20 0.44
CSNK1G2 P78368 1/20 0.44
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PIN1 Q13526 1/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
CFTR P13569 1/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
F7 P08709 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
SCHEMBL10139853 0.93 PTGDR2 (0.53) PTGDR2CHEK2METAP2METAP1PKN1
SCHEMBL7972885 0.86 CHEK2 (0.47) PTGDR2CHEK2METAP2METAP1PKN1
SCHEMBL10140068 0.84 F10 (0.41) PTGDR2CHEK2F9F10F11
SCHEMBL10172639 0.83 PTGDR2 (0.47) PTGDR2CHEK2METAP2METAP1PKN1
SCHEMBL7973173 0.83 CHEK2 (0.49) CHEK2F9F10F11F7
SCHEMBL10140444 0.82 KDM4E (0.39) PTGDR2F9F10F11F7
SCHEMBL10139844 0.82 PTGDR2 (0.48) PTGDR2CHEK2METAP2METAP1PKN1
SCHEMBL10139851 0.81 CHEK2 (0.60) CHEK2
SCHEMBL7982667 0.79 CHEK2 (0.52) PTGDR2CHEK2METAP2METAP1PKN1
SCHEMBL10173081 0.79 PTGDR2 (0.49) PTGDR2CHEK2METAP2METAP1PKN1

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 PTGDR2 3200/4885CHEK2 4794/4885METAP2 2521/4885

“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.