SCHEMBL6134489

SCHEMBL6134489

CC(C)n1nc(-c2cnc(N)nc2-c2cccc(C(F)(F)F)c2)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.55
ADORA2A P29274 2/20 0.55
KDM5B Q9UGL1 1/20 0.41
ABL1 P00519 3/20 0.40
BCR P11274 2/20 0.40
BRAF P15056 2/20 0.40
XDH P47989 1/20 0.39
MET P08581 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
MAOB P27338 1/20 0.38
DHFR P00374 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6133461 0.88 ADORA1 (0.43) ADORA1ADORA2AKDM5BPIK3CADHFR
SCHEMBL6134132 0.87 ADORA1 (0.41) ADORA1ADORA2AKDM5BMETDHFR
SCHEMBL6133385 0.86 ADORA1 (0.54) ADORA1ADORA2AXDHMETDHFR
SCHEMBL6133985 0.85 ADORA1 (0.40) ADORA1ADORA2AMETMAOBDHFR
SCHEMBL6134466 0.85 ADORA1 (0.53) ADORA1ADORA2AABL1PIK3CDPIK3CA
SCHEMBL6134599 0.85 ADORA1 (0.53) ADORA1ADORA2AKDM5BDHFRKDM4E
SCHEMBL6134324 0.84 ADORA1 (0.47) ADORA1ADORA2A
SCHEMBL6134637 0.83 ADORA2A (0.56) ADORA1ADORA2AABL1PIK3CDPIK3CA
SCHEMBL6134331 0.82 ADORA1 (0.45) ADORA1ADORA2AABL1PIK3CDPIK3CA
SCHEMBL6133788 0.82 ADORA1 (0.39) ADORA1ADORA2AABL1METPIK3CD

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 2/4885KDM5B 2880/4885

“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.