SCHEMBL7975283

SCHEMBL7975283

Cn1nc(-c2ccc(CN3CCCCC3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.48
GSK3B P49841 1/20 0.47
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
ACHE P22303 4/20 0.43
FGFR1 P11362 2/20 0.42
FLT1 P17948 1/20 0.42
MAP3K8 P41279 1/20 0.42
PARP1 P09874 2/20 0.41
CHEK2 O96017 5/20 0.40
DHODH Q02127 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL7975109 0.88 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7971481 0.86 HIF1A (0.46) CHEK2KDR
SCHEMBL7970550 0.86 F9 (0.46) GSK3BCHEK2KDR
SCHEMBL7969006 0.85 NPBWR1 (0.42) GSK3BCHEK2
SCHEMBL7969075 0.84 PTGDR2 (0.44) HDAC6GSK3BHDAC3HDAC1HDAC8
SCHEMBL10139913 0.84 F9 (0.43) GSK3BCHEK2
SCHEMBL7959240 0.84 NPC1 (0.44) GSK3BCHEK2
SCHEMBL10139924 0.82 PTGDR2 (0.37) HDAC6GSK3BHDAC3HDAC1HDAC2
SCHEMBL7969264 0.81 MPL (0.46) HDAC6GSK3BHDAC3HDAC1HDAC2
SCHEMBL7970846 0.81 CHEK2 (0.44) GSK3BFGFR1FLT1CHEK2KDR

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 HDAC6 265/4885GSK3B 571/4885HDAC3 60/4885

“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.