SCHEMBL10140037

SCHEMBL10140037

Cc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2OC(=O)N2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
STAT6 P42226 1/20 0.39
ACHE P22303 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL7960886 0.92 CNR1 (0.38) NPC1RAB9ASMN1; SMN2ACHESIRT2
SCHEMBL10140034 0.92 CNR1 (0.39) NPC1RAB9ASMN1; SMN2ACHESIRT2
SCHEMBL7980011 0.86 CHEK2 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7973947 0.84 CHEK2 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10140040 0.81 CHEK2 (0.34) ACHESIRT2SIRT1KMT2AMEN1
SCHEMBL20307800 0.81 ALOX5 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7975823 0.79 HDAC3 (0.43) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL7975606 0.78 BRD4 (0.37) NPC1RAB9ASMN1; SMN2ACHESIRT2
SCHEMBL7960176 0.77 BRD4 (0.36) NPC1RAB9ASMN1; SMN2ACHESIRT2
SCHEMBL7970581 0.77 F9 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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 CYP2C9 40/4885CYP2C19 132/4885CYP1A2 324/4885

“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.