SCHEMBL7970792

SCHEMBL7970792

Cn1nc(-c2ccc(N3C(=O)Cc4ccccc43)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
P2RX3 P56373 3/20 0.33
P2RX2 Q9UBL9 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TOP1 P11387 2/20 0.33
TOP2A P11388 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CXCR3 P49682 1/20 0.32
TNKS O95271 1/20 0.32
BRD4 O60885 2/20 0.31

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
SCHEMBL7959768 0.90 TOP1 (0.33) HPGDALDH1A1KDM4ESMN1; SMN2TOP1
SCHEMBL7972135 0.83 PDE10A (0.37) SMN1; SMN2HSD17B10MAPTNPC1RAB9A
SCHEMBL10140053 0.83 F10 (0.36) HPGDALDH1A1SMN1; SMN2TOP1TOP2A
SCHEMBL7971018 0.83 HSD17B10 (0.37) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL7969389 0.82 NPC1 (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL7970581 0.81 F9 (0.40) HPGDALDH1A1SMN1; SMN2TOP1TOP2A
SCHEMBL10140048 0.80 F10 (0.38) HPGDALDH1A1SMN1; SMN2TOP1TOP2A
SCHEMBL12758112 0.80 TOP1 (0.36) HPGDALDH1A1SMN1; SMN2TOP1TOP2A
SCHEMBL7973155 0.80 F9 (0.39) HPGDALDH1A1SMN1; SMN2TOP1TOP2A
SCHEMBL10140047 0.80 F10 (0.40) HPGDALDH1A1SMN1; SMN2TOP1TOP2A

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 HPGD 340/4885ALDH1A1 1022/4885KDM4E 1387/4885

“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.