Sugi Predict

Sugi Predict / Compounds / SCHEMBL7971018

SCHEMBL7971018

SCHEMBL7971018

Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ F9 P00740 2/20 0.37
▸ F10 P00742 2/20 0.37
▸ F11 P03951 2/20 0.37
▸ F7 P08709 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL7972135 0.98 PDE10A (0.37) HSD17B10MEN1MAPTMAPK1CASP1
SCHEMBL7970581 0.91 F9 (0.40) HSD17B10MEN1MAPTMAPK1HTT
SCHEMBL7971012 0.91 PTGDR2 (0.39) CA12CA9GAAPTGDR2TSHR
SCHEMBL7973155 0.90 F9 (0.39) HSD17B10MEN1MAPTMAPK1HTT
SCHEMBL7962296 0.90 NPBWR1 (0.36) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7973874 0.89 BRD4 (0.39) HSD17B10MEN1MAPTKMT2ANPC1
SCHEMBL7965824 0.89 SIRT2 (0.37) HSD17B10MAPTF9F10F11
SCHEMBL10140046 0.89 KDM4E (0.43) HSD17B10MAPTHTTPDE10ANPC1
SCHEMBL7970061 0.88 GUSB (0.39) HSD17B10CA12CA9PDE10ANPC1
SCHEMBL7971397 0.88 ALDH1A1 (0.39) HSD17B10MEN1MAPTMAPK1KMT2A

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 HSD17B10 929/4885MEN1 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.