SCHEMBL3353513

SCHEMBL3353513

CC(C)n1ncc2cc(N)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 2/20 0.37
AURKA O14965 1/20 0.37
CDK1 P06493 1/20 0.37
AURKB Q96GD4 1/20 0.37
RPS6KA3 P51812 7/20 0.34
SRC P12931 7/20 0.34
PIK3CD O00329 6/20 0.34
ABL1 P00519 6/20 0.34
PIK3CA P42336 6/20 0.34
PIK3CB P42338 6/20 0.34
PIK3CG P48736 6/20 0.34
PRKDC P78527 6/20 0.34
EGFR P00533 5/20 0.34
HCK P08631 5/20 0.34
KDR P35968 5/20 0.34
MTOR P42345 5/20 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
SCHEMBL31304384 1.00 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL15072857 0.80 ADORA3 (0.42) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL15077058 0.79 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL15970859 0.79 HDAC8 (0.50) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL14819959 0.76 ADORA3 (0.43) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL26259234 0.76 ADORA3 (0.54) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL1980691 0.76 PI4KA (0.43) KDM4EAURKASRCPIK3CDPIK3CA
SCHEMBL15971027 0.75 IRAK4 (0.46)
SCHEMBL16409134 0.73 ADORA3 (0.55) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL29730504 0.73 ALDH1A1 (0.44) ADORA3ADORA2AADORA2BADORA1KDM4E

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
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US claimed
WO-2010068453-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO claimed
US-8877769-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSEEN PHARMACEUTICA NV (BG) 2014-11-04 US disclosed
US-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US 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-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 ADORA3 766/4885ADORA2A 484/4885ADORA2B 436/4885

“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.