SCHEMBL10140034

SCHEMBL10140034

Cc1ccc(-c2nn(C)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2OC(=O)N2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
ATR Q13535 5/20 0.37
ACHE P22303 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
BRD4 O60885 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CHEK2 O96017 2/20 0.34
PRSS12 P56730 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7960886 0.99 CNR1 (0.38) CNR1ATRACHESIRT2SIRT1
SCHEMBL10140037 0.92 CYP2C9 (0.41) ATRACHESIRT2SIRT1BRD4
SCHEMBL7980011 0.87 CHEK2 (0.38) ATRBRD4NPC1RAB9ACHEK2
SCHEMBL7960176 0.85 BRD4 (0.36) CNR1ATRACHESIRT2SIRT1
SCHEMBL7973947 0.85 CHEK2 (0.36) ATRSIRT2SIRT1BRD4NPC1
SCHEMBL7975606 0.84 BRD4 (0.37) CNR1ATRACHESIRT2SIRT1
SCHEMBL10140040 0.83 CHEK2 (0.34) ATRACHESIRT2SIRT1BRD4
SCHEMBL20307800 0.82 ALOX5 (0.39) ACHEBRD4NPC1RAB9ACHEK2
SCHEMBL7970581 0.78 F9 (0.40) ATRACHEBRD4NPC1RAB9A
SCHEMBL20307854 0.78 CA12 (0.39) ACHEBRD4NPC1RAB9ACHEK2

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 CNR1 2805/4885ATR 4648/4885ACHE 1402/4885

“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.