SCHEMBL6133571

SCHEMBL6133571

COc1ccc(-c2cnc(N)nc2-c2ccc(Cl)c(Cl)c2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.56
ADORA2A P29274 5/20 0.53
DHFR P00374 2/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.44
KMO O15229 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDGFRB P09619 1/20 0.39
PDGFRA P16234 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
SCHEMBL6135107 0.88 KMT2A (0.53) ADORA1ADORA2AKMT2AMEN1MAPT
SCHEMBL6133909 0.85 ADORA1 (0.62) ADORA1ADORA2ADHFRKMT2AMEN1
SCHEMBL6133429 0.84 KMT2A (0.47) ADORA1ADORA2ADHFRKMT2AMEN1
SCHEMBL6133624 0.84 KMT2A (0.70) ADORA1ADORA2AKMT2AMEN1MAPT
SCHEMBL6134408 0.84 KMT2A (0.55) ADORA1ADORA2ADHFRKMT2AMEN1
SCHEMBL6134219 0.82 KMT2A (0.53) ADORA1ADORA2ADHFRKMT2AMEN1
SCHEMBL6134177 0.82 ADORA1 (0.50) ADORA1ADORA2ADHFRKMT2AMEN1
SCHEMBL6133448 0.82 ADORA1 (0.59) ADORA1ADORA2AKMT2ANPC1RAB9A
SCHEMBL6134101 0.82 ADORA1 (0.66) ADORA1ADORA2AKMT2AMAPTTP53
SCHEMBL6134097 0.82 ADORA1 (0.60) ADORA1ADORA2AKMT2ALMNARAB9A

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 2/4885DHFR 146/4885

“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.