SCHEMBL10140099

SCHEMBL10140099

Cc1cc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GUSB P08236 3/20 0.39
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL7970637 0.90 RHEB (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7982667 0.84 CHEK2 (0.52) F9F10F11F7PDE10A
SCHEMBL7959221 0.82 CHEK2 (0.53) MEN1KMT2ARAB9ASMN1; SMN2F9
SCHEMBL10173220 0.82 CHEK2 (0.43) MEN1MAPTKMT2AMAPK1CASP1
SCHEMBL7971071 0.81 F9 (0.40) ALDH1A1KDM4EHPGDHSD17B10F9
SCHEMBL7975674 0.81 F9 (0.56) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL7970842 0.80 NPC1 (0.55) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL10139808 0.80 P2RY6 (0.53) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL7976170 0.80 ITK (0.48) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10140103 0.79 F9 (0.39) ALDH1A1MEN1MAPTKMT2AKDM4E

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 6 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

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 ALDH1A1 1022/4885MEN1 994/4885MAPT 4510/4885

“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.