SCHEMBL6134043

SCHEMBL6134043

Cn1nc(-c2cnc(N)nc2-c2ccc(Cl)c(Cl)c2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.53
DHFR P00374 3/20 0.49
ADORA2A P29274 6/20 0.42
KMO O15229 1/20 0.41
ADORA2B P29275 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
KMT2A Q03164 2/20 0.37
RIPK2 O43353 1/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN11 Q06124 1/20 0.36
MAP3K14 Q99558 1/20 0.36

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
SCHEMBL6134360 0.87 LMNA (0.47) ADORA1ADORA2AADORA2BHRH3KMT2A
SCHEMBL6134367 0.86 ADORA1 (0.50) ADORA1DHFRADORA2AKMOADORA2B
SCHEMBL6134037 0.84 RPS6KA3 (0.45) ADORA1ADORA2AADORA2BHRH3KMT2A
SCHEMBL6133620 0.83 ADORA1 (0.52) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL6134537 0.83 RPS6KA3 (0.48) ADORA1ADORA2AADORA2BHRH3KMT2A
SCHEMBL6133388 0.82 ADORA1 (0.57) ADORA1DHFRADORA2AADORA2BKMT2A
SCHEMBL6133471 0.82 ADORA1 (0.50) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL6133534 0.82 ADORA1 (0.57) ADORA1DHFRADORA2AADORA2BNPC1
SCHEMBL6133436 0.81 ADORA1 (0.56) ADORA1ADORA2AADORA2BHRH3KMT2A
SCHEMBL6134194 0.81 ADORA1 (0.43) ADORA1DHFRADORA2AADORA2B

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 3/4885DHFR 146/4885ADORA2A 2/4885

“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.