SCHEMBL20249127

SCHEMBL20249127

CC(c1ccc(C(C)(C)C)nc1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.51
CHRM1 P11229 3/20 0.51
OPRD1 P41143 2/20 0.39
CYP2D6 P10635 2/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OGA O60502 7/20 0.35
MOGAT2 Q3SYC2 2/20 0.34
IDH1 O75874 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL18291593 0.80 CHRM2 (0.48) CHRM2CHRM1OPRD1CYP2D6CYP19A1
SCHEMBL18291412 0.79 CHRM2 (0.47) CHRM2CHRM1OPRD1CYP2D6CYP19A1
SCHEMBL24323620 0.79 CHRM2 (0.47) CHRM2CHRM1CYP2D6CYP19A1MEN1
SCHEMBL20255517 0.79 CHRM2 (0.47) CHRM2CHRM1OPRD1CYP2D6CYP19A1
SCHEMBL20037435 0.77 CHRM2 (0.45) CHRM2CHRM1OPRD1CYP2D6CYP19A1
SCHEMBL15318609 0.74 CHRM2 (0.58) CHRM2CHRM1OPRD1CYP2D6CYP19A1
SCHEMBL20883792 0.72 CHRM2 (0.59) CHRM2CHRM1OPRD1CYP2D6CYP19A1
SCHEMBL12145921 0.72 CHRNB2 (0.58)
SCHEMBL1694606 0.71 CHRNA7 (0.38) CYP2D6IDH1
SCHEMBL16026426 0.71 KCNA5 (0.53) CHRM2CHRM1CYP2D6MEN1KMT2A

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 CHRM2 4833/4885CHRM1 4851/4885OPRD1 3922/4885

“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.