SCHEMBL7972249

SCHEMBL7972249

N/C(=N\O)c1ccc2[nH]c(-c3c(O)c(-c4ccc(Cl)cc4)nn3CC(F)(F)F)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 13/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
F7 P08709 1/20 0.34
CYP3A4 P08684 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL10140118 0.92 F10 (0.42) CHEK2CA12CA9ALOX5F9
SCHEMBL7972811 0.89 F10 (0.42) CHEK2F9F10F11KLKB1
SCHEMBL7970520 0.86 SIRT2 (0.42) CHEK2SIRT2SIRT1SIRT3MEN1
SCHEMBL7971680 0.81 F10 (0.52) CHEK2F9F10F11KLKB1
SCHEMBL10140119 0.80 F10 (0.42) F9F10F11F7
SCHEMBL7971682 0.80 F10 (0.46) CHEK2SIRT2SIRT1SIRT3F9
SCHEMBL7972817 0.76 F9 (0.54) CHEK2MEN1THRBKMT2AALOX5
SCHEMBL10140107 0.75 NPBWR1 (0.39) CHEK2CA12CA9F9F10
SCHEMBL7970176 0.75 CHEK2 (0.61) CHEK2SIRT2SIRT1SIRT3MEN1
SCHEMBL10139884 0.74 F10 (0.48) CHEK2F9F10F11KLKB1

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 4794/4885SIRT2 988/4885SIRT1 643/4885

“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.