Sugi Predict

Sugi Predict / Compounds / SCHEMBL7972406

SCHEMBL7972406

SCHEMBL7972406

CCCc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.39
▸ MPL P40238 2/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ PTGDR2 Q9Y5Y4 10/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL10140028 0.94 MPL (0.43) NPBWR1MPLGSK3BHDAC3HDAC1
SCHEMBL7970945 0.92 HDAC3 (0.39) NPBWR1GSK3BHDAC3HDAC1HDAC8
SCHEMBL7970581 0.88 F9 (0.40) NPBWR1ALDH1A1TOP1TOP2AHPGD
SCHEMBL7971012 0.87 PTGDR2 (0.39) GSK3BPTGDR2
SCHEMBL7973155 0.87 F9 (0.39) NPBWR1ALDH1A1TOP1TOP2AHPGD
SCHEMBL16258924 0.87 PTGDR2 (0.41) GSK3BHDAC3HDAC1HDAC2HDAC8
SCHEMBL7965824 0.86 SIRT2 (0.37) HDAC6PTGDR2ALDH1A1TOP1TOP2A
SCHEMBL7972135 0.86 PDE10A (0.37) PDE10APTGDR2SMN1; SMN2HSD17B10
SCHEMBL7975733 0.86 HDAC6 (0.49) GSK3BHDAC3HDAC1HDAC2HDAC8
SCHEMBL7971018 0.86 HSD17B10 (0.37) PDE10APTGDR2ALDH1A1HPGDSMN1; 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 NPBWR1 3598/4885MPL 277/4885GSK3B 571/4885

“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.