SCHEMBL20249336

SCHEMBL20249336

CC(C)(C)c1ccc(N2CC3(CNC(=O)C3)C2)nn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
CD274 Q9NZQ7 10/20 0.33
PDCD1 Q15116 8/20 0.33
PDCD1LG2 Q9BQ51 2/20 0.32
LRRK2 Q5S007 2/20 0.32
LCAT P04180 1/20 0.31

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
SCHEMBL20249340 0.87 CYP11B1 (0.51) CYP11B1CYP11B2OPRM1OPRL1CD274
SCHEMBL20249284 0.80 BPTF (0.33)
SCHEMBL18290988 0.80 CYP11B1 (0.41) CYP11B1CYP11B2OPRM1OPRL1CCNC
SCHEMBL20255666 0.80 CYP11B1 (0.41) CYP11B1CYP11B2OPRM1OPRL1CCNC
SCHEMBL20249295 0.76 ALDH1A1 (0.40) CYP11B1
SCHEMBL20249303 0.75 ALDH1A1 (0.49)
SCHEMBL20038231 0.73 CHRNB2 (0.35)
SCHEMBL20249311 0.72 HRH4 (0.33)
SCHEMBL20249270 0.72 TRPV1 (0.30)
SCHEMBL20037591 0.71 GFER (0.40) LRRK2

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 CYP11B1 963/4885CYP11B2 1006/4885OPRM1 4815/4885

“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.