SCHEMBL7970550

SCHEMBL7970550

Cc1ccc(-c2nn(C)c(-c3nc4ccc(CN)cc4[nH]3)c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.46
F10 P00742 1/20 0.46
F11 P03951 1/20 0.46
CHEK2 O96017 5/20 0.44
HIF1A Q16665 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
NPBWR1 P48145 2/20 0.42
KDR P35968 1/20 0.42
NT5E P21589 1/20 0.42
GSK3B P49841 1/20 0.40
EGFR P00533 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL7969006 0.93 NPBWR1 (0.42) F9F10F11CHEK2PTGDR2
SCHEMBL7971481 0.92 HIF1A (0.46) CHEK2HIF1APTGDR2NPBWR1KDR
SCHEMBL7969075 0.92 PTGDR2 (0.44) F9F10F11CHEK2PTGDR2
SCHEMBL10139913 0.91 F9 (0.43) F9F10F11CHEK2PTGDR2
SCHEMBL10172731 0.91 CA12 (0.40) F9F10F11CHEK2HIF1A
SCHEMBL7959240 0.91 NPC1 (0.44) F9F10F11CHEK2NPBWR1
SCHEMBL7969264 0.88 MPL (0.46) CHEK2HIF1APTGDR2NPBWR1NT5E
SCHEMBL7970846 0.88 CHEK2 (0.44) CHEK2PTGDR2NPBWR1KDRNT5E
SCHEMBL10140025 0.87 MAPT (0.45) NPBWR1
SCHEMBL7975283 0.86 HDAC6 (0.48) CHEK2KDRGSK3B

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 F9 1/4885F10 11/4885F11 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.