SCHEMBL7973326

SCHEMBL7973326

Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc(F)c(C(N)=O)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.42
DHODH Q02127 4/20 0.42
BRD4 O60885 1/20 0.39
PARP1 P09874 2/20 0.38
POLB P06746 1/20 0.38
F10 P00742 3/20 0.38
F9 P00740 2/20 0.38
F11 P03951 2/20 0.38
F7 P08709 2/20 0.38
CDC7 O00311 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL10140097 0.87 DHODH (0.41) CHEK2DHODHBRD4PARP1POLB
SCHEMBL7969435 0.82 CHEK2 (0.65) CHEK2F10F9F11F7
SCHEMBL10139933 0.81 CHEK2 (0.67) CHEK2
SCHEMBL7976986 0.78 CHEK2 (0.53) CHEK2F10F9F11F7
SCHEMBL7970842 0.78 NPC1 (0.55)
SCHEMBL10139885 0.78 MAPT (0.60) CHEK2POLBF10F9F11
SCHEMBL7976170 0.77 ITK (0.48) POLBF10F9F11F7
SCHEMBL10139808 0.77 P2RY6 (0.53) F10F9F11F7
SCHEMBL7970459 0.77 KDM4E (0.40) CHEK2BRD4F10F9F11
SCHEMBL7970074 0.77 KDM4E (0.41) POLBF10F9F11F7

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 4794/4885DHODH 538/4885BRD4 3960/4885

“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.