SCHEMBL10140028

SCHEMBL10140028

CCCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GCGR P47871 1/20 0.36
PRSS12 P56730 2/20 0.35
PTGDR2 Q9Y5Y4 6/20 0.35
GSK3B P49841 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
NPBWR1 P48145 1/20 0.34
HSD11B1 P28845 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL7972406 0.94 NPBWR1 (0.39) MPLHDAC3HDAC1HDAC2HDAC8
SCHEMBL7970945 0.90 HDAC3 (0.39) HDAC3HDAC1HDAC8HDAC6PTGDR2
SCHEMBL20307835 0.86 MPL (0.41) MPLHDAC3HDAC1HDAC2HDAC8
SCHEMBL7970581 0.86 F9 (0.40) NPBWR1NPC1RAB9A
SCHEMBL7971012 0.86 PTGDR2 (0.39) PTGDR2GSK3B
SCHEMBL7973155 0.85 F9 (0.39) NPBWR1NPC1RAB9A
SCHEMBL16258924 0.85 PTGDR2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20307740 0.85 TSSK1B (0.33) GPR84NPC1RAB9AL3MBTL1
SCHEMBL7972135 0.84 PDE10A (0.37) PTGDR2NPC1RAB9A
SCHEMBL7965824 0.84 SIRT2 (0.37) HDAC6PTGDR2

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 MPL 277/4885HDAC3 60/4885HDAC1 238/4885

“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.