SCHEMBL6133399

SCHEMBL6133399

CC(C)n1nc(-c2cnc(N)nc2-c2ccncc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.49
ADORA2A P29274 9/20 0.49
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
KMT2A Q03164 1/20 0.38
ADORA2B P29275 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL6134324 0.89 ADORA1 (0.47) ADORA1ADORA2AKMT2AADORA2B
SCHEMBL6134159 0.88 RPS6KA3 (0.46) ADORA1ADORA2AKMT2AADORA2BBMPR1B
SCHEMBL6133581 0.88 ADORA1 (0.49) ADORA1ADORA2AKMT2AADORA2BBMPR1B
SCHEMBL6134103 0.88 PIK3CD (0.46) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6133386 0.87 KMT2A (0.40) ADORA1ADORA2AKMT2AADORA2BBMPR1B
SCHEMBL6134450 0.87 ADORA1 (0.50) ADORA1ADORA2AKMT2AADORA2BBMPR1B
SCHEMBL6134188 0.87 LMNA (0.45) ADORA1ADORA2AKMT2AADORA2BBMPR1B
SCHEMBL6133461 0.87 ADORA1 (0.43) ADORA1ADORA2ACDK5CDK5R1KMT2A
SCHEMBL6134060 0.85 RET (0.38) ADORA1ADORA2AKMT2AADORA2BBMPR1B
SCHEMBL6133595 0.85 KMT2A (0.58) ADORA1ADORA2AKMT2AHRH3PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885CDK5 823/4885

“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.