SCHEMBL20249387

SCHEMBL20249387

CC(C#N)N1CCN(c2ccc(C(C)(C)C)nn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.42
PANK3 Q9H999 9/20 0.37
HRH3 Q9Y5N1 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SLC6A9 P48067 1/20 0.32

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
SCHEMBL20249325 0.84 HRH3 (0.48) OGAPANK3HRH3TRPV1
SCHEMBL20037465 0.80 OGA (0.52) OGAPANK3HRH3
SCHEMBL20249304 0.78 OGA (0.42) OGAPANK3HRH3TRPV1SLC6A9
SCHEMBL20249379 0.76 POLB (0.36) OGAPANK3TRPV1
SCHEMBL20249268 0.76 HRH4 (0.51) HRH3
SCHEMBL20249320 0.74 OGA (0.39) OGAPANK3TRPV1
SCHEMBL20249305 0.74 TRPV1 (0.39) OGATRPV1
SCHEMBL20249439 0.72 TRPV1 (0.49) PANK3TRPV1SLC6A9
SCHEMBL20249349 0.72 DRD2 (0.43) OGAPANK3TRPV1
SCHEMBL20249130 0.71 ALDH1A1 (0.51)

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 OGA 4627/4885PANK3 492/4885HRH3 2304/4885

“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.