SCHEMBL6134941

SCHEMBL6134941

CC(C)n1nc(-c2cnc(N)nc2-c2ccccc2C(F)(F)F)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
NTRK1 P04629 1/20 0.37
MAP3K12 Q12852 5/20 0.36
HDAC1 Q13547 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
PTPN1 P18031 3/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ATR Q13535 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ADORA2B P29275 1/20 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
SCHEMBL6134468 0.86 ADORA2A (0.37) CDC7DBF4NTRK1HDAC1ADORA2A
SCHEMBL6134252 0.85 ADORA2A (0.38) ADORA2AADORA1ADORA2B
SCHEMBL6133826 0.84 CLK1 (0.36) ADORA2AADORA1PTPN1CDK5CDK5R1
SCHEMBL6134078 0.84 GFER (0.41) ADORA2AADORA1
SCHEMBL6134855 0.84 KDM5B (0.36) ADORA2AADORA1ADORA2B
SCHEMBL6134324 0.82 ADORA1 (0.47) ADORA2AADORA1ADORA2B
SCHEMBL6133855 0.82 ADORA2A (0.48) HDAC1ADORA2AADORA1
SCHEMBL6133461 0.82 ADORA1 (0.43) MAP3K12ADORA2AADORA1CDK5CDK5R1
SCHEMBL6135805 0.81 ADORA1 (0.37) ADORA2AADORA1ALOX5APFEN1ADORA2B
SCHEMBL6134489 0.81 ADORA1 (0.55) CDK2MAP3K12ADORA2AADORA1

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 CDC7 4106/4885CCNE1 1305/4885CDK2 376/4885

“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.