SCHEMBL7972135

SCHEMBL7972135

Cn1nc(-c2ccc(-c3ccccc3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CHEK2 O96017 1/20 0.36
SCD O00767 1/20 0.36
F9 P00740 2/20 0.36
F10 P00742 2/20 0.36
F11 P03951 2/20 0.36
F7 P08709 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36

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
SCHEMBL7971018 0.98 HSD17B10 (0.37) PDE10ACA12CA9MEN1KMT2A
SCHEMBL7973155 0.93 F9 (0.39) CA12CA9MEN1KMT2ANPC1
SCHEMBL7962296 0.92 NPBWR1 (0.36) NPC1RAB9ASMN1; SMN2SCDMAPT
SCHEMBL7970581 0.91 F9 (0.40) CA12CA9MEN1KMT2ANPC1
SCHEMBL10140046 0.91 KDM4E (0.43) PDE10ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7971012 0.91 PTGDR2 (0.39) CA12CA9PTGDR2CHEK2
SCHEMBL7970061 0.91 GUSB (0.39) PDE10ACA12CA9NPC1RAB9A
SCHEMBL7960814 0.91 NPC1 (0.39) PDE10ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL7971397 0.91 ALDH1A1 (0.39) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL7970587 0.91 TOP1 (0.34) CA12CA9SMN1; SMN2CHEK2F9

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 PDE10A 904/4885CA12 1599/4885CA9 332/4885

“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.