SCHEMBL6133742

SCHEMBL6133742

CC(C)n1nc(-c2c(Nc3ccccc3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.41
ADORA1 P30542 9/20 0.41
MERTK Q12866 1/20 0.40
TP53 P04637 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
CALCA P06881 2/20 0.38
KDR P35968 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
POLB P06746 1/20 0.36
GHSR Q92847 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6133268 0.93 CALCA (0.41) ADORA2AADORA1MERTKTP53CDK4
SCHEMBL6135237 0.89 ADORA2A (0.42) ADORA2AADORA1TP53POLB
SCHEMBL6133705 0.88 ADORA2A (0.41) ADORA2AADORA1TP53POLB
SCHEMBL6133629 0.87 ADORA2A (0.37) ADORA2AADORA1MERTKTP53POLB
SCHEMBL6133818 0.86 ADORA2A (0.40) ADORA2AADORA1TP53POLB
SCHEMBL6133911 0.86 NLRP3 (0.45) ADORA2AADORA1TP53POLB
SCHEMBL6135243 0.86 ADORA2A (0.40) ADORA2AADORA1CDK4CCND1CCND2
SCHEMBL6133438 0.85 TP53 (0.40) ADORA2AADORA1TP53POLBMAPT
SCHEMBL6134830 0.85 ADORA2A (0.43) ADORA2AADORA1TP53
SCHEMBL6133703 0.85 GHSR (0.41) ADORA2AADORA1TP53GHSR

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 ADORA2A 2/4885ADORA1 3/4885MERTK 2751/4885

“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.