SCHEMBL10140128

SCHEMBL10140128

CCN(CC)C(=O)Oc1c(-c2ccc(Cn3cccn3)cc2)nn(C)c1-c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.34
F9 P00740 2/20 0.34
F11 P03951 2/20 0.34
KLKB1 P03952 3/20 0.33
F2 P00734 2/20 0.33
F7 P08709 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NAMPT P43490 1/20 0.33
CHEK2 O96017 3/20 0.33
BRPF1 P55201 1/20 0.33
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL10140129 0.92 HDAC1 (0.34) KLKB1HDAC1HDAC6NAMPTCHEK2
SCHEMBL16258969 0.88 F10 (0.35) F10F9F11KLKB1F2
SCHEMBL10140130 0.85 HDAC3 (0.43) HDAC1HDAC6CHEK2
SCHEMBL10140005 0.84 PTGDR2 (0.33) KLKB1HDAC1HDAC6PTGDR2
SCHEMBL7972893 0.84 F10 (0.37) F10F9F11KLKB1F2
SCHEMBL7960639 0.84 F10 (0.38) F10F9F11KLKB1F2
SCHEMBL10140125 0.83 MEN1 (0.39) F10F9F11F2F7
SCHEMBL16258916 0.80 NOS3 (0.34) KLKB1HDAC1HDAC6CHEK2BRPF1
SCHEMBL10140002 0.78 F10 (0.49) F10F9F11F2F7
SCHEMBL12758129 0.76 MEN1 (0.36) F10F9F11F2F7

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 F10 11/4885F9 1/4885F11 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.