SCHEMBL6133974

SCHEMBL6133974

Cn1nc(-c2c(NCc3ccccc3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.44
ADORA1 P30542 9/20 0.43
APP P05067 4/20 0.43
ADORA3 P0DMS8 2/20 0.43
GHSR Q92847 1/20 0.41
BRD4 O60885 1/20 0.40
ADORA2A P29274 7/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2B P29275 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL6134701 0.87 ADORA2A (0.46) ADORA1ADORA2ANPSR1ADORA2BHIF1A
SCHEMBL6133703 0.87 GHSR (0.41) CDK1ADORA1APPADORA3GHSR
SCHEMBL6135243 0.84 ADORA2A (0.40) ADORA1GHSRBRD4ADORA2AADORA2B
SCHEMBL5149284 0.82 ADORA3 (0.43) CDK1ADORA1ADORA3BRD4ADORA2A
SCHEMBL6133364 0.81 ADORA2A (0.43) ADORA1APPGHSRADORA2A
SCHEMBL6135229 0.81 APP (0.43) CDK1ADORA1APPADORA3GHSR
SCHEMBL6134404 0.79 ADORA2A (0.45) ADORA1ADORA2AHIF1A
SCHEMBL6133959 0.77 ADORA2A (0.42) ADORA1BRD4ADORA2AADORA2B
SCHEMBL6133623 0.77 ADORA2A (0.42) ADORA1BRD4ADORA2AADORA2B
SCHEMBL6133911 0.76 NLRP3 (0.45) ADORA1ADORA2A

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 CDK1 644/4885ADORA1 3/4885APP 217/4885

“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.