Sugi Predict

Sugi Predict / Compounds / SCHEMBL7965824

SCHEMBL7965824

SCHEMBL7965824

Cn1nc(-c2ccc(Br)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ TOP1 P11387 2/20 0.35
▸ TOP2A P11388 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MMP2 P08253 3/20 0.34
▸ MMP9 P14780 3/20 0.34
▸ MMP8 P22894 3/20 0.34
▸ MMP13 P45452 3/20 0.34
▸ AMY1A P0DUB6 2/20 0.34
▸ F9 P00740 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
SCHEMBL7970581 0.91 F9 (0.40) CA12CA9TOP1TOP2AMAPT
SCHEMBL7973155 0.90 F9 (0.39) CA12CA9TOP1TOP2AMAPT
SCHEMBL7972135 0.89 PDE10A (0.37) CA12CA9PTGDR2MAPTSMN1; SMN2
SCHEMBL7971018 0.89 HSD17B10 (0.37) CA12CA9PTGDR2TP53MAPT
SCHEMBL7970061 0.88 GUSB (0.39) CA12CA9PTGDR2TOP1TOP2A
SCHEMBL7960814 0.88 NPC1 (0.39) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7971397 0.88 ALDH1A1 (0.39) TOP1TOP2ATP53MAPTALDH1A1
SCHEMBL7970587 0.88 TOP1 (0.34) CA12CA9TOP1TOP2AALDH1A1
SCHEMBL10139961 0.88 GUSB (0.39) SIRT2CA12CA9PTGDR2TP53
SCHEMBL7970945 0.88 HDAC3 (0.39) HDAC6PTGDR2CHEK2

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 SIRT2 988/4885CA12 1599/4885CA1 1475/4885

“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.