SCHEMBL7971392

SCHEMBL7971392

Cn1nc(-c2ccc(-c3cccc(Cl)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.42
GUSB P08236 1/20 0.41
BRD4 O60885 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
FGFR1 P11362 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPBWR1 P48145 1/20 0.35
KIT P10721 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10139972 0.91 AMY1A (0.37) GUSBBRD4ALDH1A1HPGDHSD17B10
SCHEMBL10139961 0.91 GUSB (0.39) GUSBBRD4GAAFGFR1KDM4E
SCHEMBL7962296 0.90 NPBWR1 (0.36) SCDGUSBNPBWR1KDM4EALDH1A1
SCHEMBL7972135 0.90 PDE10A (0.37) SCDMEN1MAPTMAPK1KMT2A
SCHEMBL7960212 0.89 AMY1A (0.35) GUSBBRD4FGFR1ALDH1A1HPGD
SCHEMBL7971418 0.89 SCD (0.42) SCDGUSBMGAMGAASI
SCHEMBL7971678 0.89 NPC1 (0.43) SCDGAAKDM4EMEN1ALDH1A1
SCHEMBL7971018 0.88 HSD17B10 (0.37) BRD4GAAKDM4EMEN1ALDH1A1
SCHEMBL7973155 0.87 F9 (0.39) BRD4NPBWR1MEN1ALDH1A1MAPT
SCHEMBL20307716 0.87 ALOX5 (0.36) SCDGUSBBRD4FGFR1ALDH1A1

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 SCD 2674/4885GUSB 599/4885BRD4 3960/4885

“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.