SCHEMBL7973947

SCHEMBL7973947

Cc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2OC(=O)N(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.36
BRD4 O60885 1/20 0.35
ATR Q13535 3/20 0.33
HPSE Q9Y251 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
F11 P03951 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL10140040 0.90 CHEK2 (0.34) CHEK2BRD4ATREGFRSIRT2
SCHEMBL7980011 0.90 CHEK2 (0.38) CHEK2BRD4ATRHPSENPC1
SCHEMBL7960886 0.86 CNR1 (0.38) CHEK2BRD4ATRNPC1RAB9A
SCHEMBL10140034 0.85 CNR1 (0.39) CHEK2BRD4ATRNPC1RAB9A
SCHEMBL20307800 0.85 ALOX5 (0.39) CHEK2BRD4NPC1RAB9AF9
SCHEMBL10140037 0.84 CYP2C9 (0.41) BRD4ATRNPC1RAB9ALMNA
SCHEMBL7960714 0.81 CHEK2 (0.39) CHEK2
SCHEMBL10140004 0.81 SCD (0.36) ATRNPC1RAB9AMEN1ALDH1A1
SCHEMBL7970581 0.80 F9 (0.40) CHEK2BRD4ATRHPSENPC1
SCHEMBL10140006 0.80 CHEK2 (0.38) CHEK2HPSESIRT2SIRT1ALDH1A1

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 4794/4885BRD4 3960/4885ATR 4648/4885

“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.