SCHEMBL10135936

SCHEMBL10135936

CC(C)(C)OC(=O)N1CCC(CN2CCN(C(=O)CCc3cccc(CSc4nc(N)c(C#N)c(-c5ccc(N)cc5)n4)n3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.58
ADORA2A P29274 1/20 0.58
GPR119 Q8TDV5 1/20 0.35
TGFBR1 P36897 1/20 0.35
SQOR Q9Y6N5 1/20 0.34
PDE4B Q07343 3/20 0.33
CETP P11597 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HDAC1 Q13547 1/20 0.33
CXCR2 P25025 1/20 0.32

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
Hydrochloric Acid SCHEMBL416246 0.93 ADORA1 (0.67) ADORA1ADORA2AGPR119TGFBR1CETP
Hydrochloric Acid SCHEMBL416647 0.93 ADORA1 (0.54) ADORA1ADORA2AGPR119TGFBR1SQOR
Hydrochloric Acid SCHEMBL413835 0.91 ADORA1 (0.63) ADORA1ADORA2AGPR119TGFBR1SQOR
Hydrochloric Acid SCHEMBL414240 0.89 ADORA1 (0.59) ADORA1ADORA2AGPR119TGFBR1SQOR
SCHEMBL10118204 0.89 ADORA2A (0.44) ADORA1ADORA2ATGFBR1ALOX5APFEN1
SCHEMBL10136214 0.87 ADORA1 (0.60) ADORA1ADORA2A
SCHEMBL947815 0.85 ADORA1 (0.73) ADORA1ADORA2APDE4BCETP
SCHEMBL19134316 0.83 ADORA1 (0.55) ADORA1ADORA2ATGFBR1CETPHDAC1
SCHEMBL10135692 0.83 ADORA1 (0.74) ADORA1ADORA2APDE4B
SCHEMBL950117 0.83 ADORA1 (0.68) ADORA1ADORA2APDE4B

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
US-9708292-B2 Cyanopyrimidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-18 US disclosed
US-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010090299-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-12 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-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885GPR119 109/4885

“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.