SCHEMBL7976096

SCHEMBL7976096

N#Cc1ccc2nc(-c3n[nH]c(-c4ccccc4)c3O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.54
F9 P00740 2/20 0.53
F10 P00742 2/20 0.53
F11 P03951 2/20 0.53
F7 P08709 2/20 0.53
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
CSNK1A1 P48729 2/20 0.49
CSNK1D P48730 2/20 0.49
GSK3B P49841 1/20 0.49
CSNK1G2 P78368 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL7978212 0.91 F9 (0.65) CHEK2F9F10F11F7
SCHEMBL10139794 0.85 F9 (0.56) F9F10F11F7METAP2
SCHEMBL7975272 0.84 ITK (0.63) F9F10F11F7KDM4E
SCHEMBL10172578 0.82 F9 (0.56) CHEK2F9F10F11F7
SCHEMBL10139790 0.82 F9 (0.56) F9F10F11F7METAP2
SCHEMBL10139833 0.82 NPC1 (0.48) CHEK2PKN1PKN2KDM4EALDH1A1
SCHEMBL7975946 0.81 KDM4E (0.68) F9F10F11F7KDM4E
SCHEMBL10139793 0.81 F9 (0.46) CHEK2F9F10F11F7
SCHEMBL10172741 0.81 F9 (0.53) CHEK2F9F10F11F7
SCHEMBL7969419 0.80 F9 (0.52) CHEK2F9F10F11F7

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 CHEK2 4794/4885F9 1/4885F10 11/4885

“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.