SCHEMBL6133665

SCHEMBL6133665

COc1ccc(-c2cnc(N)nc2-c2cccnc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.45
ADORA2A P29274 6/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PTK2 Q05397 1/20 0.45
PIK3CA P42336 1/20 0.44
CYP19A1 P11511 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 2/20 0.40
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6133448 0.87 ADORA1 (0.59) ADORA1ADORA2AKMT2ANPC1RAB9A
SCHEMBL6133395 0.86 ADORA1 (0.55) ADORA1ADORA2AKMT2APIK3CACYP19A1
SCHEMBL6134101 0.82 ADORA1 (0.66) ADORA1ADORA2AKMT2AHRH3NPC1
SCHEMBL6134097 0.82 ADORA1 (0.60) ADORA1ADORA2AKMT2ARAB9A
SCHEMBL6133624 0.81 KMT2A (0.70) ADORA1ADORA2AKMT2AHRH3
SCHEMBL6134408 0.81 KMT2A (0.55) ADORA1ADORA2AKMT2A
SCHEMBL6133391 0.81 ADORA1 (0.49) ADORA1ADORA2AKMT2A
SCHEMBL6134195 0.81 ADORA1 (0.49) ADORA1ADORA2AKMT2AHRH3
SCHEMBL6135107 0.80 KMT2A (0.53) ADORA1ADORA2AKMT2A
SCHEMBL6134219 0.80 KMT2A (0.53) ADORA1ADORA2AKMT2A

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 2/4885KMT2A 1769/4885

“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.