SCHEMBL6133629

SCHEMBL6133629

CC(C)n1nc(-c2c(Nc3ccccn3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.37
ADORA1 P30542 8/20 0.37
MAT2A P31153 1/20 0.37
TP53 P04637 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
HIF1A Q16665 1/20 0.34
NTRK1 P04629 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
NTRK3 Q16288 1/20 0.33
MERTK Q12866 1/20 0.33
ADORA2B P29275 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
SCHEMBL6133742 0.87 ADORA2A (0.41) ADORA2AADORA1TP53POLBMERTK
SCHEMBL6135237 0.85 ADORA2A (0.42) ADORA2AADORA1TP53POLB
SCHEMBL6133960 0.84 ADORA2A (0.47) ADORA2AADORA1HIF1AMEN1KMT2A
SCHEMBL6133705 0.84 ADORA2A (0.41) ADORA2AADORA1TP53MEN1KMT2A
SCHEMBL6133818 0.82 ADORA2A (0.40) ADORA2AADORA1TP53POLB
SCHEMBL6133911 0.82 NLRP3 (0.45) ADORA2AADORA1TP53POLB
SCHEMBL6133268 0.81 CALCA (0.41) ADORA2AADORA1TP53MERTKADORA2B
SCHEMBL6133438 0.80 TP53 (0.40) ADORA2AADORA1TP53POLB
SCHEMBL6134830 0.80 ADORA2A (0.43) ADORA2AADORA1TP53
SCHEMBL6134039 0.80 TLR8 (0.42) ADORA2AADORA1TP53POLB

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 3/4885MAT2A 1220/4885

“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.