SCHEMBL4147487

SCHEMBL4147487

CC(C)(C)OC(=O)Cn1c(=O)[nH]c2cnc(-c3ccccc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.56
USP1 O94782 17/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2210780 0.84 ADORA3 (0.62) ADORA3USP1
SCHEMBL7215331 0.79 ADORA3 (0.68) ADORA3USP1
SCHEMBL7215568 0.78 ADORA3 (0.55) ADORA3USP1
SCHEMBL7210956 0.77 ADORA3 (0.65) ADORA3USP1KDM4EALDH1A1
SCHEMBL7210910 0.77 ADORA3 (0.84) ADORA3USP1
SCHEMBL15157018 0.76 DAO (0.49) USP1KDM4EALDH1A1
SCHEMBL27887734 0.75 TSPO (0.56) ADORA3USP1
SCHEMBL3311829 0.73 CYP1A2 (0.57) ADORA3KDM4EALDH1A1
SCHEMBL3591401 0.73 MEN1 (0.55) KDM4EALDH1A1
SCHEMBL7212031 0.72 ADORA3 (0.58) ADORA3USP1KDM4EALDH1A1

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-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS AJINOMOTO CO. INC (JP) 2009-01-01 US disclosed
EP-2009003-A1 Production method of diaminopyrimidine compounds Ajinomoto Co., Inc. (JP) 2008-12-31 EP 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-20090005560-A1 PRODUCTION METHOD OF DIAMINOPYRIMIDINE COMPOUNDS DPYD, DHPS, UMPS ADORA3 1282/4885USP1 4482/4885KDM4E 1666/4885

“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.