SCHEMBL20249226

SCHEMBL20249226

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CYP3A4 P08684 2/20 0.44
HRH3 Q9Y5N1 2/20 0.43
DHFR P00374 1/20 0.41
GPR119 Q8TDV5 7/20 0.39
HSD11B1 P28845 2/20 0.38
POLB P06746 1/20 0.37
LCAT P04180 2/20 0.36
CHRM4 P08173 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
SCHEMBL20255191 0.89 HRH4 (0.43) MAPTCYP3A4HRH3DHFRGPR119
SCHEMBL20249098 0.86 MAPT (0.46) MAPTCYP3A4HRH3DHFRGPR119
SCHEMBL20249101 0.84 HRH4 (0.51) CYP3A4HRH3DHFR
SCHEMBL20255106 0.83 HRH4 (0.44) CYP3A4HRH3
SCHEMBL20224120 0.83 CYP3A4 (0.47) CYP3A4HRH3DHFR
SCHEMBL22601459 0.83 MAPT (0.50) MAPTHRH3DHFRHSD11B1
SCHEMBL20249223 0.83 HRH4 (0.39) CYP3A4HRH3DHFR
SCHEMBL20249224 0.83 HRH4 (0.39) CYP3A4HRH3DHFR
SCHEMBL14008911 0.82 POLB (0.55) MAPTHSD11B1POLB
SCHEMBL16256660 0.81 MAPT (0.53) MAPTDHFRHSD11B1POLB

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 2551/4885CYP3A4 539/4885HRH3 2304/4885

“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.