SCHEMBL20249223

SCHEMBL20249223

CC(C)(C)c1ccc(N2CC[C@@H](N)[C@@H](F)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
CYP3A4 P08684 2/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
DHFR P00374 1/20 0.36
PTPN11 Q06124 5/20 0.35
DPP4 P27487 4/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
KHK P50053 1/20 0.34

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
SCHEMBL20249224 1.00 HRH4 (0.39) HRH4CYP3A4KCNH2HRH3DHFR
SCHEMBL20249101 0.86 HRH4 (0.51) HRH4CYP3A4HRH3DHFRCCNC
SCHEMBL20255191 0.84 HRH4 (0.43) HRH4CYP3A4HRH3DHFR
SCHEMBL18291577 0.83 SLC6A9 (0.40) KCNH2PTPN11DPP4CHRNB2CHRNB4
SCHEMBL20249226 0.83 MAPT (0.45) CYP3A4HRH3DHFR
SCHEMBL20037704 0.80 CHRNB2 (0.40) KCNH2HRH3PTPN11DPP4CCNC
SCHEMBL20255249 0.79 KCNH2 (0.37) KCNH2PTPN11DPP4CCNCCDK8
SCHEMBL20255253 0.79 KCNH2 (0.37) KCNH2PTPN11DPP4CCNCCDK8
SCHEMBL20249335 0.78 HRH4 (0.44) HRH4KCNH2HRH3PTPN11DPP4
SCHEMBL20249333 0.78 HRH4 (0.44) HRH4KCNH2HRH3PTPN11DPP4

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 2 patents. 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
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 1763/4885CYP3A4 539/4885KCNH2 3160/4885

“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.