SCHEMBL20249208

SCHEMBL20249208

CC(C)(C)c1ccc(OC2CCNC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
PRKCZ Q05513 1/20 0.49

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
SCHEMBL20249289 1.00 CHRNB2 (0.54) CHRNB2CHRNA4PRKCZ
SCHEMBL20249288 1.00 CHRNB2 (0.54) CHRNB2CHRNA4PRKCZ
SCHEMBL20249299 0.92 CHRNB2 (0.56) CHRNB2CHRNA4PRKCZ
SCHEMBL20249213 0.91 HRH1 (0.47) CHRNB2CHRNA4PRKCZ
SCHEMBL20249283 0.90 SLC6A2 (0.44) CHRNB2CHRNA4
SCHEMBL21603206 0.86 CHRNB2 (0.54) CHRNB2CHRNA4PRKCZ
SCHEMBL15221721 0.83 LIPE (0.40)
SCHEMBL20249381 0.81 CLK2 (0.37) CHRNB2CHRNA4
SCHEMBL20249232 0.81 CLK2 (0.37) CHRNB2CHRNA4
SCHEMBL20249307 0.81 CHRNB2 (0.35) CHRNB2CHRNA4PRKCZ

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 CHRNB2 4863/4885CHRNA4 4628/4885PRKCZ 1671/4885

“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.