SCHEMBL7973860

SCHEMBL7973860

Cn1nc(-c2ccc(-c3ccccc3C(N)=O)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.38
HCRTR1 O43613 7/20 0.37
HCRTR2 O43614 7/20 0.37
PARP1 P09874 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
DHODH Q02127 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL7972344 0.87 SMN1; SMN2 (0.41)
SCHEMBL7976222 0.86 CHEK2 (0.44) CHEK2
SCHEMBL7970044 0.85 SCD (0.43) HCRTR1HCRTR2DHODH
SCHEMBL7973528 0.85 CHEK2 (0.42) CHEK2
SCHEMBL7972135 0.85 PDE10A (0.37) CHEK2
SCHEMBL7971018 0.85 HSD17B10 (0.37)
SCHEMBL7974911 0.84 CHEK2 (0.43) CHEK2
SCHEMBL7975958 0.84 PDE10A (0.40) HCRTR1HCRTR2DHODH
SCHEMBL10139983 0.84 PDE10A (0.40) PPARG
SCHEMBL7960261 0.83 PARP1 (0.40) CHEK2PARP1DHODH

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 CHEK2 4794/4885HCRTR1 4407/4885HCRTR2 4666/4885

“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.