SCHEMBL6133584

SCHEMBL6133584

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.46
ADORA1 P30542 7/20 0.46
HRH3 Q9Y5N1 2/20 0.43
KMT2A Q03164 1/20 0.41
USP1 O94782 3/20 0.37
TNK2 Q07912 1/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND2 P30279 2/20 0.36
CCND3 P30281 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 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
SCHEMBL6133633 0.89 HRH3 (0.47) ADORA2AADORA1HRH3KMT2AADORA2B
SCHEMBL6134091 0.89 HRH3 (0.45) ADORA2AADORA1HRH3KMT2AADORA2B
SCHEMBL6133628 0.89 ADORA2A (0.47) ADORA2AADORA1USP1TNK2
SCHEMBL6134496 0.89 KMT2A (0.45) ADORA2AADORA1HRH3KMT2ACDK4
SCHEMBL6133975 0.89 HRH3 (0.44) ADORA2AADORA1HRH3KMT2AADORA2B
SCHEMBL6135983 0.89 HRH3 (0.44) ADORA2AADORA1HRH3KMT2AADORA2B
SCHEMBL6134257 0.87 KMT2A (0.44) ADORA2AADORA1HRH3KMT2AADORA2B
SCHEMBL6133451 0.87 HRH3 (0.45) HRH3KMT2A
SCHEMBL6134263 0.86 KMT2A (0.44) ADORA2AADORA1HRH3KMT2AADORA2B
SCHEMBL6133595 0.85 KMT2A (0.58) ADORA2AADORA1HRH3KMT2A

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 1 patent. 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

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 3/4885HRH3 367/4885

“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.