SCHEMBL20249098

SCHEMBL20249098

CC(C)(C)c1ccc(N2CCC(O)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 2/20 0.42
HSD11B1 P28845 2/20 0.42
CYP3A4 P08684 2/20 0.41
ABL1 P00519 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
LCAT P04180 2/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
DHFR P00374 1/20 0.37
RORC P51449 1/20 0.37
TTK P33981 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL20249116 0.92 ABL1 (0.43) MAPTHRH3HSD11B1CYP3A4ABL1
SCHEMBL20249226 0.86 MAPT (0.45) MAPTHRH3HSD11B1CYP3A4GPR119
SCHEMBL20255191 0.84 HRH4 (0.43) MAPTHRH3HSD11B1CYP3A4GPR119
SCHEMBL31615430 0.84 CYP3A4 (0.55) MAPTHRH3CYP3A4ABL1GPR119
SCHEMBL20249117 0.82 HRH3 (0.49) HRH3
SCHEMBL20224120 0.82 CYP3A4 (0.47) HRH3CYP3A4CDK1CDK2DHFR
SCHEMBL20255106 0.82 HRH4 (0.44) HRH3CYP3A4
SCHEMBL22601459 0.82 MAPT (0.50) MAPTHRH3HSD11B1DHFR
SCHEMBL20249100 0.81 CDK4 (0.45) MAPTHRH3CYP3A4GPR119CDK1
SCHEMBL21707135 0.81 LCAT (0.37) MAPTHRH3HSD11B1CYP3A4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 MAPT 2551/4885HRH3 2304/4885HSD11B1 1477/4885

“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.