SCHEMBL6133497

SCHEMBL6133497

COc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C(C)C)n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.54
SRC P12931 9/20 0.47
PIK3CD O00329 7/20 0.47
ABL1 P00519 7/20 0.47
EGFR P00533 7/20 0.47
HCK P08631 7/20 0.47
KDR P35968 7/20 0.47
PIK3CA P42336 7/20 0.47
PIK3CB P42338 7/20 0.47
MTOR P42345 7/20 0.47
PIK3CG P48736 7/20 0.47
EPHB4 P54760 7/20 0.47
PRKDC P78527 7/20 0.47
PI4KB Q9UBF8 7/20 0.47
ADORA2A P29274 1/20 0.43
FGFR1 P11362 3/20 0.42
FGFR2 P21802 2/20 0.42
FGFR3 P22607 2/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6134870 0.91 ADORA1 (0.43) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6133595 0.86 KMT2A (0.58) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6133388 0.86 ADORA1 (0.57) ADORA1ADORA2AFGFR1FGFR2FGFR3
SCHEMBL6134637 0.85 ADORA2A (0.56) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6134367 0.83 ADORA1 (0.50) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6133855 0.83 ADORA2A (0.48) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6135304 0.83 ADORA1 (0.40) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6134359 0.83 RPS6KA3 (0.42) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6133581 0.83 ADORA1 (0.49) ADORA1SRCPIK3CDABL1EGFR
SCHEMBL6134159 0.83 RPS6KA3 (0.46) ADORA1PIK3CAMTORADORA2AKMT2A

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 3/4885SRC 2622/4885PIK3CD 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.