SCHEMBL1990582

SCHEMBL1990582

CC(N)c1cc2ncccc2nc1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ADORA2A P29274 2/20 0.42
MAPK14 Q16539 9/20 0.39
MAPK10 P53779 1/20 0.39
PIK3CD O00329 2/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TGFBR1 P36897 1/20 0.38
SYK P43405 1/20 0.38
ADORA1 P30542 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
SCHEMBL1989838 0.90 MAPK14 (0.38) BCHEACHEMAPK14MAPK10PIK3CD
SCHEMBL1988633 0.87 BCHE (0.44) BCHEACHEADORA2AMAPK14MAPK10
SCHEMBL15302857 0.80 PIK3CD (0.55) ADORA2APIK3CDUSP2ALDH1A1CYP1A2
SCHEMBL22476052 0.80 PIK3CD (0.55) ADORA2APIK3CDUSP2ALDH1A1CYP1A2
SCHEMBL12629115 0.80 ADORA2A (0.50) BCHEACHEADORA2AUSP2ALDH1A1
SCHEMBL1993391 0.79 USP2 (0.39) BCHEACHEADORA2AMAPK14MAPK10
SCHEMBL4178011 0.79 ADORA2A (0.47) ADORA2APIK3CDALDH1A1CYP1A2CYP3A4
SCHEMBL9959406 0.79 CSNK2A2 (0.42) BCHEACHEADORA2AMAPK14PIK3CD
SCHEMBL1988609 0.78 MBNL1 (0.46) ADORA2AMAPK14MAPK10ALDH1A1TGFBR1
SCHEMBL2015151 0.77 SYK (0.45) BCHEACHEADORA2AMAPK14USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 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-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 BCHE 2238/4885ACHE 3554/4885ADORA2A 1368/4885

“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.