SCHEMBL6133534

SCHEMBL6133534

Cc1cccc(-c2nc(N)ncc2-c2ccc(=O)n(C)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.57
ADORA2A P29274 7/20 0.40
ADORA2B P29275 1/20 0.40
TDP2 O95551 1/20 0.39
XDH P47989 1/20 0.38
RAB9A P51151 2/20 0.38
BACE1 P56817 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RPS6KA3 P51812 1/20 0.37
DHFR P00374 1/20 0.37
ALOX5AP P20292 1/20 0.37

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
SCHEMBL6134194 0.88 ADORA1 (0.43) ADORA1ADORA2AADORA2BBACE1ALDH1A1
SCHEMBL6133436 0.88 ADORA1 (0.56) ADORA1ADORA2AADORA2B
SCHEMBL6133471 0.87 ADORA1 (0.50) ADORA1ADORA2AADORA2B
SCHEMBL6134537 0.86 RPS6KA3 (0.48) ADORA1ADORA2AADORA2BRPS6KA3
SCHEMBL6133447 0.86 ADORA2A (0.60) ADORA1ADORA2AADORA2BRAB9ABACE1
SCHEMBL6133385 0.86 ADORA1 (0.54) ADORA1ADORA2AADORA2BXDHRAB9A
SCHEMBL6134043 0.82 ADORA1 (0.53) ADORA1ADORA2AADORA2BRAB9ANPC1
SCHEMBL6134037 0.82 RPS6KA3 (0.45) ADORA1ADORA2AADORA2BALDH1A1RPS6KA3
SCHEMBL6133620 0.81 ADORA1 (0.52) ADORA1ADORA2AADORA2BRPS6KA3
SCHEMBL6134360 0.80 LMNA (0.47) ADORA1ADORA2AADORA2B

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 2/4885ADORA2B 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.