SCHEMBL6133788

SCHEMBL6133788

CC(C)n1nc(-c2cnc(N)nc2-c2cc(F)cc(F)c2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.39
ADORA2A P29274 3/20 0.38
RPS6KA3 P51812 1/20 0.37
SRC P12931 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
KDR P35968 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ADORA2B P29275 1/20 0.36
MET P08581 3/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 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
SCHEMBL6134132 0.91 ADORA1 (0.41) ADORA1ADORA2AADORA2BMETCYP1A2
SCHEMBL6134450 0.91 ADORA1 (0.50) ADORA1ADORA2ARPS6KA3ADORA2BBMPR1B
SCHEMBL6134359 0.88 RPS6KA3 (0.42) ADORA1ADORA2ARPS6KA3SRCPIK3CA
SCHEMBL6134324 0.86 ADORA1 (0.47) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL6133581 0.85 ADORA1 (0.49) ADORA1ADORA2ARPS6KA3SRCPIK3CA
SCHEMBL6134159 0.85 RPS6KA3 (0.46) ADORA1ADORA2ARPS6KA3PIK3CAMTOR
SCHEMBL6133399 0.85 ADORA1 (0.49) ADORA1ADORA2ARPS6KA3SRCPIK3CA
SCHEMBL6133386 0.84 KMT2A (0.40) ADORA1ADORA2ARPS6KA3PIK3CAMTOR
SCHEMBL6134188 0.84 LMNA (0.45) ADORA1ADORA2AADORA2BBMPR1BBMPR1A
SCHEMBL6134870 0.84 ADORA1 (0.43) ADORA1ADORA2ARPS6KA3SRCPIK3CA

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 2/4885RPS6KA3 652/4885

“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.