SCHEMBL10139807

SCHEMBL10139807

NC(=O)c1ccc2nc(-c3n[nH]c(-c4cccc(Br)c4)c3O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.56
F10 P00742 1/20 0.56
F11 P03951 1/20 0.56
F7 P08709 1/20 0.56
CHEK2 O96017 16/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CHEK1 O14757 1/20 0.52
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49

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
SCHEMBL7961754 0.85 ITK (0.54) F9F10F11F7HDAC3
SCHEMBL10140375 0.83 NPC1 (0.48) F9F10F11F7HDAC3
SCHEMBL16258965 0.83 PDPK1 (0.56) F9F10F11F7HDAC3
SCHEMBL7973859 0.81 NPC1 (0.53) F9F10F11F7HDAC3
SCHEMBL7972717 0.81 F9 (0.77) F9F10F11F7CHEK2
SCHEMBL10139800 0.80 CHEK1 (0.56) F9F10F11F7CHEK2
SCHEMBL20307772 0.80 F9 (0.64) F9F10F11F7CHEK2
SCHEMBL10139860 0.80 F9 (0.69) F9F10F11F7CHEK2
SCHEMBL10172578 0.80 F9 (0.56) F9F10F11F7CHEK2
SCHEMBL7972153 0.78 CHEK2 (0.54) CHEK2HDAC3HDAC1HDAC2HDAC8

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 F9 1/4885F10 11/4885F11 4/4885

“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.