SCHEMBL7982191

SCHEMBL7982191

COc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX5 P09917 1/20 0.50
EPHX2 P34913 1/20 0.50
MAPT P10636 3/20 0.48
PKM P14618 2/20 0.48
GFER P55789 1/20 0.48
METAP2 P50579 2/20 0.46
METAP1 P53582 2/20 0.46

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
SCHEMBL10139799 0.90 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7961586 0.86 CHEK2 (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7966178 0.85 NPC1 (0.65) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10140405 0.85 CHEK2 (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7960793 0.84 KDM4E (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7966206 0.84 CHEK2 (0.61)
SCHEMBL10139808 0.83 P2RY6 (0.53) P2RY6NPC1RAB9AKDM4EALDH1A1
SCHEMBL7970762 0.83 AMY1A (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7959385 0.82 CHEK2 (0.57) SMN1; SMN2TP53MAPT
SCHEMBL10139875 0.82 HDAC6 (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 P2RY6 3012/4885NPC1 1029/4885RAB9A 400/4885

“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.