SCHEMBL7960261

SCHEMBL7960261

Cn1nc(-c2ccc(-c3ccc(C(N)=O)nc3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
DHODH Q02127 1/20 0.40
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CHEK1 O14757 1/20 0.36
CHEK2 O96017 9/20 0.35
ATR Q13535 3/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
MITF O75030 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 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
SCHEMBL7976607 0.90 MAPT (0.43) PARP1TLR8TLR7CHEK2MAPT
SCHEMBL7976222 0.89 CHEK2 (0.44) CHEK2
SCHEMBL7960290 0.87 NPC1 (0.42) ATRF9F10F11MITF
SCHEMBL7974911 0.85 CHEK2 (0.43) CHEK2
SCHEMBL7971397 0.85 ALDH1A1 (0.39) CHEK1F9F10F11KDM4E
SCHEMBL7973155 0.85 F9 (0.39) CHEK2ATRF9F10F11
SCHEMBL7971684 0.84 NPBWR1 (0.40) CHEK2ATRF9F10F11
SCHEMBL7972135 0.84 PDE10A (0.37) CHEK2F9F10F11NPC1
SCHEMBL7970581 0.84 F9 (0.40) CHEK2ATRF9F10F11
SCHEMBL10140044 0.84 HSD17B1 (0.37) CHEK2ATRMAPT

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 PARP1 3367/4885DHODH 538/4885TLR8 3923/4885

“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.