SCHEMBL17677246

SCHEMBL17677246

CC(C)c1ncc(C=O)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TKT P29401 1/20 0.35
TYR P14679 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL8626075 0.75 LMNA (0.43) TKT
SCHEMBL4716502 0.74
SCHEMBL1785253 0.74 POLB (0.40) POLBTKTDHFR
Hydrochloric Acid SCHEMBL10954513 0.73 LMNA (0.42) TKT
SCHEMBL8681450 0.73 ALDH1A1 (0.43) POLBTKT
SCHEMBL2625494 0.72 TKT (0.41) POLBTKT
SCHEMBL25910815 0.71 POLB (0.38) POLBTKTDHFR
SCHEMBL27103191 0.71 CSNK1A1 (0.46) POLB
SCHEMBL4072762 0.71
SCHEMBL1168107 0.70 MEN1 (0.38)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
EP-3006438-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2016-04-13 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-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE DRD2, DRD4, DRD1 POLB 3136/4885TKT 2926/4885TYR 722/4885

“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.