SCHEMBL6134875

SCHEMBL6134875

CC(C)n1nc(-c2c(-c3ccc(F)cc3)nc(N)nc2[S+](C)[O-])ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.40
ADORA1 P30542 18/20 0.40
ADORA2B P29275 5/20 0.37
ADORA3 P0DMS8 2/20 0.37
MAPK14 Q16539 1/20 0.35
RET P07949 1/20 0.33

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
SCHEMBL6133707 0.91 HRH3 (0.33) ADORA2AADORA1
SCHEMBL6133833 0.90 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL6133812 0.88 PTGS2 (0.35) ADORA2AADORA1
SCHEMBL6134309 0.81 ADORA2A (0.41) ADORA2AADORA1ADORA2BADORA3MAPK14
SCHEMBL6133736 0.81 ADORA2A (0.41) ADORA2AADORA1ADORA2BADORA3MAPK14
SCHEMBL6134202 0.78 PIK3CA (0.35) ADORA2AADORA1
SCHEMBL6133522 0.78 BMPR1B (0.31)
SCHEMBL6133268 0.77 CALCA (0.41) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6133734 0.77 ADORA2A (0.45) ADORA2AADORA1ADORA2B
SCHEMBL6134450 0.75 ADORA1 (0.50) ADORA2AADORA1ADORA2BADORA3MAPK14

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 ADORA2A 2/4885ADORA1 3/4885ADORA2B 1/4885

“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.