SCHEMBL20255106

SCHEMBL20255106

CNC1CCN(c2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.44
CDK4 P11802 5/20 0.39
CDK6 Q00534 3/20 0.39
CYP3A4 P08684 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL20249226 0.83 MAPT (0.45) CYP3A4HRH3
SCHEMBL20255191 0.82 HRH4 (0.43) HRH4CDK4CDK6CYP3A4HRH3
SCHEMBL20249098 0.82 MAPT (0.46) CYP3A4HRH3
SCHEMBL20255284 0.81 HRH4 (0.45) HRH4CDK4CDK6ROCK2ROCK1
SCHEMBL20224120 0.79 CYP3A4 (0.47) CDK4CDK6CYP3A4HRH3
SCHEMBL22601459 0.79 MAPT (0.50) HRH3
SCHEMBL20249271 0.79 HRH4 (0.32) HRH4CDK4CDK6CYP3A4
SCHEMBL20037607 0.79 HRH4 (0.46) HRH4CDK4CDK6ROCK2ROCK1
SCHEMBL20038446 0.79 HRH4 (0.43) HRH4CDK4CDK6ROCK2ROCK1
SCHEMBL25650084 0.79 CDK4 (0.50) HRH4CDK4CDK6

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 HRH4 1763/4885CDK4 1/4885CDK6 2/4885

“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.