SCHEMBL6134637

SCHEMBL6134637

COc1cccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.56
ADORA1 P30542 4/20 0.56
PIK3CD O00329 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
HCK P08631 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48
EPHB4 P54760 1/20 0.48
PRKDC P78527 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
CLK1 P49759 4/20 0.46
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43

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
SCHEMBL6134331 0.91 ADORA1 (0.45) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6135106 0.90 LMNA (0.45) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6135205 0.90 ADORA1 (0.44) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6133511 0.89 ADORA1 (0.43) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6133797 0.89 ADORA1 (0.43) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6134416 0.88 ADORA1 (0.42) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6133860 0.88 ADORA1 (0.42) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6133991 0.88 SRC (0.43) ADORA2AADORA1ABL1HCKSRC
SCHEMBL6133595 0.88 KMT2A (0.58) ADORA2AADORA1PIK3CDABL1EGFR
SCHEMBL6133501 0.87 ADORA1 (0.41) ADORA2AADORA1PIK3CDABL1EGFR

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 3/4885PIK3CD 1667/4885

“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.