SCHEMBL6133461

SCHEMBL6133461

CC(C)n1nc(-c2cnc(N)nc2-c2ccc(C(F)(F)F)cc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.43
ADORA2A P29274 6/20 0.43
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CLK1 P49759 2/20 0.40
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
ADORA2B P29275 2/20 0.36
DHFR P00374 1/20 0.36
RPS6KA3 P51812 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAP3K12 Q12852 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35

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
SCHEMBL6134450 0.88 ADORA1 (0.50) ADORA1ADORA2AKMT2AADORA2BRPS6KA3
SCHEMBL6134489 0.88 ADORA1 (0.55) ADORA1ADORA2ALCKKITSRC
SCHEMBL6133399 0.87 ADORA1 (0.49) ADORA1ADORA2ACDK5CDK5R1SRC
SCHEMBL6133581 0.87 ADORA1 (0.49) ADORA1ADORA2ASRCKDRKMT2A
SCHEMBL6134159 0.87 RPS6KA3 (0.46) ADORA1ADORA2AKMT2AADORA2BRPS6KA3
SCHEMBL6133386 0.86 KMT2A (0.40) ADORA1ADORA2ACLK1KMT2AADORA2B
SCHEMBL6134188 0.86 LMNA (0.45) ADORA1ADORA2AKMT2AADORA2BHRH3
SCHEMBL6134324 0.85 ADORA1 (0.47) ADORA1ADORA2AKMT2AADORA2B
SCHEMBL6133595 0.84 KMT2A (0.58) ADORA1ADORA2ALCKSRCKDR
SCHEMBL6133788 0.84 ADORA1 (0.39) ADORA1ADORA2ASRCKDRKMT2A

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 2 patents. 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
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-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.