SCHEMBL6133904

SCHEMBL6133904

COc1ccc(-c2cnc(N)nc2-c2cc(F)cc(F)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ADORA1 P30542 8/20 0.43
ADORA2A P29274 4/20 0.43
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
RPS6KA3 P51812 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
PTK2B Q14289 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 1/20 0.37
FGFR1 P11362 2/20 0.37
DHFR P00374 1/20 0.37
LMNA P02545 1/20 0.37
PDGFRB P09619 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 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
SCHEMBL6133391 0.89 ADORA1 (0.49) KMT2AADORA1ADORA2ADHFRPDGFRB
SCHEMBL6133429 0.85 KMT2A (0.47) KMT2AADORA1ADORA2AMAPTHTT
SCHEMBL6134177 0.83 ADORA1 (0.50) KMT2AADORA1ADORA2AMAPTHTT
SCHEMBL6133448 0.83 ADORA1 (0.59) KMT2AADORA1ADORA2AALDH1A1
SCHEMBL6133395 0.82 ADORA1 (0.55) KMT2AADORA1ADORA2AMAPTHTT
SCHEMBL6133624 0.82 KMT2A (0.70) KMT2AADORA1ADORA2AMAPTHTT
SCHEMBL6134408 0.82 KMT2A (0.55) KMT2AADORA1ADORA2AMAPTHTT
SCHEMBL6133571 0.81 ADORA1 (0.56) KMT2AADORA1ADORA2AMAPTHTT
SCHEMBL6133909 0.81 ADORA1 (0.62) KMT2AADORA1ADORA2AMAPTHTT
SCHEMBL6135107 0.81 KMT2A (0.53) KMT2AADORA1ADORA2AMAPTHTT

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 KMT2A 1769/4885ADORA1 3/4885ADORA2A 2/4885

“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.