SCHEMBL6133617

SCHEMBL6133617

Cn1nc(-c2cnc(N)nc2-c2ccoc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.43
ADORA1 P30542 9/20 0.43
ADORA2B P29275 2/20 0.43
KMT2A Q03164 1/20 0.35
CDK2 P24941 2/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK9 P50750 1/20 0.34
CDC7 O00311 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CARM1 Q86X55 2/20 0.32
PDE10A Q9Y233 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL6134903 0.85 ADORA1 (0.39) ADORA2AADORA1ADORA2BKMT2ACDK2
SCHEMBL6133471 0.83 ADORA1 (0.50) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL6133620 0.82 ADORA1 (0.52) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL6134537 0.82 RPS6KA3 (0.48) ADORA2AADORA1ADORA2BKMT2APDE10A
SCHEMBL6134360 0.81 LMNA (0.47) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL6134083 0.79 ADORA2A (0.65) ADORA2AADORA1ADORA2BKMT2AADORA3
SCHEMBL6133989 0.79 KMT2A (0.62) ADORA2AADORA1ADORA2BKMT2APDE10A
SCHEMBL6134665 0.79 ADORA1 (0.39) ADORA2AADORA1ADORA2BKMT2ACDK2
SCHEMBL6134043 0.78 ADORA1 (0.53) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL6133534 0.78 ADORA1 (0.57) ADORA2AADORA1ADORA2B

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 3/4885ADORA2B 1/4885

“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.