SCHEMBL7973874

SCHEMBL7973874

Cn1nc(-c2ccc3ccccc3c2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CHEK2 O96017 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
KDR P35968 2/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7972135 0.90 PDE10A (0.37) CHEK2PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL7971018 0.89 HSD17B10 (0.37) BRD4PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL7970581 0.87 F9 (0.40) BRD4CHEK2SMN1; SMN2NPC1RAB9A
SCHEMBL7973155 0.86 F9 (0.39) BRD4CHEK2EGFRSMN1; SMN2NPC1
SCHEMBL7965824 0.85 SIRT2 (0.37) CHEK2PTGDR2SMN1; SMN2MAPTALDH1A1
SCHEMBL7971012 0.85 PTGDR2 (0.39) CHEK2PTGDR2PKM
SCHEMBL10139977 0.85 NPC1 (0.40) BRD4CHEK2PTGDR2SMN1; SMN2NPC1
SCHEMBL7970061 0.84 GUSB (0.39) CHEK2PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL7971397 0.84 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7970587 0.84 TOP1 (0.34) CHEK2SMN1; SMN2ALDH1A1TOP1TOP2A

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 BRD4 3960/4885CHEK2 4794/4885PTGDR2 3200/4885

“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.