SCHEMBL6133391

SCHEMBL6133391

COc1ccc(-c2cnc(N)nc2-c2cccc(F)c2)nn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.49
ADORA2A P29274 8/20 0.49
KMT2A Q03164 1/20 0.43
FYN P06241 1/20 0.41
PDE4B Q07343 1/20 0.41
ADORA2B P29275 1/20 0.40
DHFR P00374 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CLK1 P49759 1/20 0.39

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
SCHEMBL6133904 0.89 KMT2A (0.46) ADORA1ADORA2AKMT2ADHFRPDGFRB
SCHEMBL6134101 0.87 ADORA1 (0.66) ADORA1ADORA2AKMT2AADORA2BPDGFRB
SCHEMBL6134097 0.87 ADORA1 (0.60) ADORA1ADORA2AKMT2ACLK1
SCHEMBL6134195 0.86 ADORA1 (0.49) ADORA1ADORA2AKMT2ACLK1
SCHEMBL6133448 0.85 ADORA1 (0.59) ADORA1ADORA2AKMT2A
SCHEMBL6133429 0.85 KMT2A (0.47) ADORA1ADORA2AKMT2AADORA2BDHFR
SCHEMBL6134177 0.83 ADORA1 (0.50) ADORA1ADORA2AKMT2ADHFRPDGFRB
SCHEMBL6133568 0.82 ADORA1 (0.41) ADORA1ADORA2AKMT2APDGFRBPDGFRA
SCHEMBL6133571 0.81 ADORA1 (0.56) ADORA1ADORA2AKMT2AADORA2BDHFR
SCHEMBL6133909 0.81 ADORA1 (0.62) ADORA1ADORA2AKMT2ADHFR

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 2/4885KMT2A 1769/4885

“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.