SCHEMBL20249271

SCHEMBL20249271

CNC1CC2(C1)CN(c1ccc(C(C)(C)C)nc1)C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CYP3A4 P08684 1/20 0.30
HSD11B1 P28845 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CDK6 Q00534 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
SCHEMBL20249237 0.83 ACVR1 (0.39)
SCHEMBL20255283 0.81 CDK4 (0.31) HRH4CDK4CCND1CDK6
SCHEMBL20255106 0.79 HRH4 (0.44) HRH4CYP3A4CDK4CDK6
SCHEMBL20249239 0.79 CYP3A4 (0.33) CYP3A4
SCHEMBL20249243 0.77 CDK4 (0.40) CYP3A4CDK4CCND1CDK6
SCHEMBL20249338 0.77 HRH4 (0.34) HRH4
SCHEMBL20249244 0.75 TSHR (0.50) CYP3A4CDK4CCND1CDK6
SCHEMBL21707134 0.74 HSD11B1 (0.35) HSD11B1CDK6
SCHEMBL20249248 0.73 TSHR (0.41) CYP3A4CDK4CCND1CDK6
SCHEMBL20249256 0.71 CHRNB2 (0.37) HRH4

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 1763/4885CHRM2 4833/4885CHRM4 4710/4885

“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.