SCHEMBL7974859

SCHEMBL7974859

NCc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.68
F10 P00742 3/20 0.68
F7 P08709 3/20 0.68
F11 P03951 2/20 0.68
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL7974191 0.89 F10 (0.55) F9F10F7F11KDM4E
SCHEMBL7978374 0.89 F9 (0.54) F9F10F7F11ALDH1A1
SCHEMBL7960247 0.82 F9 (0.60) F9F10F7F11KDM4E
SCHEMBL7974790 0.82 F10 (0.48) F9F10F7F11PLAU
SCHEMBL7973776 0.81 F10 (1.00) F9F10F7F11PLAU
SCHEMBL20307797 0.80 F9 (0.47) F9F10F7F11KDM4E
SCHEMBL7978212 0.80 F9 (0.65) F9F10F7F11KDM4E
SCHEMBL7978435 0.79 F10 (0.83) F9F10F7F11PLAU
SCHEMBL7961139 0.79 F9 (0.47) F9F10F7F11
SCHEMBL7972717 0.79 F9 (0.77) F9F10F7F11CHEK2

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 5 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
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 F9 1/4885F10 11/4885F7 8/4885

“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.