SCHEMBL9952652

SCHEMBL9952652

NCc1cc2ncccc2nc1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
DPP4 P27487 1/20 0.44
SYK P43405 1/20 0.44
ADORA2A P29274 2/20 0.44
TAAR1 Q96RJ0 2/20 0.42
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MAP4K4 O95819 2/20 0.37
TBXA2R P21731 1/20 0.37
PTGDR Q13258 1/20 0.37
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL2015151 0.90 SYK (0.45) BCHEACHEDPP4SYKADORA2A
SCHEMBL1989452 0.86 BCHE (0.46) BCHEACHESYKADORA2APDE4A
SCHEMBL2015255 0.84 BCHE (0.44) BCHEACHESYKADORA2APDE4A
SCHEMBL12629115 0.82 ADORA2A (0.50) BCHEACHEDPP4SYKADORA2A
SCHEMBL1989290 0.78 MAPK14 (0.38) BCHEACHESYKTAAR1USP2
SCHEMBL10080212 0.77 CSNK2A2 (0.44) BCHEACHEDPP4ADORA2ATAAR1
SCHEMBL1988633 0.76 BCHE (0.44) BCHEACHEADORA2APDE4APDE4B
SCHEMBL1990582 0.76 BCHE (0.44) BCHEACHESYKADORA2ACLK4
SCHEMBL1991506 0.76 BCHE (0.46) BCHEACHEADORA2ACLK4MAP4K4
SCHEMBL1988818 0.76 BCHE (0.46) BCHEACHESYKADORA2APDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-10-30 EP disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
WO-2012087784-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-06-28 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-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 BCHE 1784/4885ACHE 3136/4885DPP4 4555/4885

“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.