SCHEMBL6133988

SCHEMBL6133988

Cc1ccccc1-c1nc(N)ncc1-c1ccc(=O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
FGFR1 P11362 3/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
TDP2 O95551 1/20 0.38
BRD4 O60885 1/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
PDGFRB P09619 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6134686 0.87 GFER (0.43) ADORA2AADORA1ADORA2B
SCHEMBL6134042 0.87 ADORA2A (0.39) ADORA2AADORA1ADORA2BFGFR1BRD4
SCHEMBL6133471 0.85 ADORA1 (0.50) ADORA2AADORA1ADORA2B
SCHEMBL6134495 0.85 ADORA2A (0.48) ADORA2AADORA1ADORA2BFGFR1BRD4
SCHEMBL6134252 0.85 ADORA2A (0.38) ADORA2AADORA1ADORA2BLCKKDR
SCHEMBL6134537 0.81 RPS6KA3 (0.48) ADORA2AADORA1ADORA2BPDE10A
SCHEMBL6133534 0.80 ADORA1 (0.57) ADORA2AADORA1ADORA2BTDP2ALDH1A1
SCHEMBL6133620 0.79 ADORA1 (0.52) ADORA2AADORA1ADORA2B
SCHEMBL6134282 0.79 ADORA2A (0.43) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6134083 0.79 ADORA2A (0.65) ADORA2AADORA1ADORA2BKDM4EALDH1A1

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.