SCHEMBL7975730

SCHEMBL7975730

O=C1CCCCN1c1ccc(-c2nn(CC(F)(F)F)c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.37
CXCR3 P49682 1/20 0.36
TNIK Q9UKE5 2/20 0.33
GRK6 P43250 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
ACACB O00763 3/20 0.31
ACACA Q13085 3/20 0.31
F2 P00734 2/20 0.31
METAP2 P50579 1/20 0.31
GSK3B P49841 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL10140047 0.87 F10 (0.40) F10CXCR3TNIKGRK6PRSS1
SCHEMBL7966289 0.86 F10 (0.39) F10TNIKGRK6PRSS1PRSS2
SCHEMBL10140048 0.84 F10 (0.38) F10CXCR3TNIKGRK6CCNC
SCHEMBL7976672 0.79 HDAC3 (0.43) GSK3B
SCHEMBL7977838 0.79 F10 (0.39) F10TNIKGRK6SIRT2SIRT1
SCHEMBL7959321 0.77 F10 (0.40) F10TNIKGRK6CCNCCDK8
SCHEMBL20307852 0.77 F10 (0.35) F10CXCR3TNIKGRK6PRSS1
SCHEMBL20307842 0.75 F10 (0.34) F10CXCR3TNIKGRK6CCNC
SCHEMBL10140050 0.75 F10 (0.41) F10SIRT2SIRT1
SCHEMBL7966251 0.75 PRKAG1 (0.32)

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 F10 11/4885CXCR3 1316/4885TNIK 2238/4885

“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.