SCHEMBL6134037

SCHEMBL6134037

Cn1nc(-c2cnc(N)nc2-c2ccc(F)c(F)c2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.45
ADORA1 P30542 5/20 0.40
ADORA2A P29274 5/20 0.40
ADORA2B P29275 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.37
TLR7 Q9NYK1 5/20 0.37
TLR9 Q9NR96 4/20 0.37
TLR8 Q9NR97 4/20 0.37
MET P08581 1/20 0.36
USP7 Q93009 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6134829 0.88 ADORA1 (0.46) RPS6KA3ADORA1ADORA2AALDH1A1HRH3
SCHEMBL6134359 0.86 RPS6KA3 (0.42) RPS6KA3ADORA1ADORA2AADORA2BCYP1A2
SCHEMBL6134194 0.85 ADORA1 (0.43) ADORA1ADORA2AADORA2BCYP1A2CYP3A4
SCHEMBL6134360 0.85 LMNA (0.47) ADORA1ADORA2AADORA2BHRH3KMT2A
SCHEMBL6134043 0.84 ADORA1 (0.53) ADORA1ADORA2AADORA2BHRH3KMT2A
SCHEMBL6134537 0.83 RPS6KA3 (0.48) RPS6KA3ADORA1ADORA2AADORA2BHRH3
SCHEMBL6133620 0.83 ADORA1 (0.52) RPS6KA3ADORA1ADORA2AADORA2BKMT2A
SCHEMBL6133388 0.82 ADORA1 (0.57) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL6133471 0.82 ADORA1 (0.50) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL6133534 0.82 ADORA1 (0.57) RPS6KA3ADORA1ADORA2AADORA2BALDH1A1

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 RPS6KA3 652/4885ADORA1 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.