SCHEMBL7976607

SCHEMBL7976607

CNC(=O)c1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KIT P10721 3/20 0.35
PARP1 P09874 3/20 0.35
CNR1 P21554 1/20 0.34
OTUD7B Q6GQQ9 2/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL7960261 0.90 PARP1 (0.40) MAPTTLR8TLR7PARP1CHEK2
SCHEMBL7975900 0.89 CHEK2 (0.40) BRD4CHEK2
SCHEMBL20307738 0.89 MAPT (0.42) MAPTTLR8TLR7PIP5K1CPIK3CA
SCHEMBL7960290 0.85 NPC1 (0.42) MAPTKIT
SCHEMBL10172560 0.85 MAPT (0.38) MAPTTLR8TLR7BRD4CREBBP
SCHEMBL10172564 0.84 MAPT (0.37) MAPTTLR8TLR7PIP5K1CPIK3CA
SCHEMBL10139961 0.83 GUSB (0.39) MAPTBRD4CHEK2
SCHEMBL7973155 0.83 F9 (0.39) MAPTBRD4CHEK2
SCHEMBL7971684 0.83 NPBWR1 (0.40) BRD4CHEK2
SCHEMBL7972135 0.82 PDE10A (0.37) MAPTCHEK2

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 5 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-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 MAPT 4510/4885TLR8 3923/4885TLR7 4043/4885

“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.