SCHEMBL6133846

SCHEMBL6133846

CC(C)n1nc(-c2c(-c3ccccc3)nc(N)nc2N2CCCCC2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.45
ADORA1 P30542 17/20 0.45
NOS1 P29475 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
ADORA2B P29275 1/20 0.41
DRD3 P35462 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL6133299 0.99 ADORA2A (0.46) ADORA2AADORA1NOS1ADORA3ADORA2B
SCHEMBL6134444 0.91 ADORA2A (0.51) ADORA2AADORA1HRH3
SCHEMBL6133573 0.90 ADORA2A (0.50) ADORA2AADORA1NOS1ADORA3ADORA2B
SCHEMBL6133520 0.90 HRH4 (0.43) ADORA2AADORA1HRH3ALDH1A1
SCHEMBL6134544 0.82 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL5149031 0.82 ALDH1A1 (0.41) ADORA2AADORA1NOS1HRH3ALDH1A1
SCHEMBL6133734 0.82 ADORA2A (0.45) ADORA2AADORA1ADORA2B
SCHEMBL6134523 0.82 ADORA2A (0.45) ADORA2AADORA1ADORA2B
SCHEMBL6134022 0.82 ADORA2A (0.45) ADORA2AADORA1
SCHEMBL5152699 0.81 MAPT (0.40) ADORA2AADORA1NOS1HRH3ALDH1A1

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 3/4885NOS1 2284/4885

“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.