SCHEMBL20037561

SCHEMBL20037561

CC(C)(C)[Si](C)(C)OC1CCN(c2ccc(N)nc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
PIK3CA P42336 5/20 0.37
MTOR P42345 5/20 0.37
MCHR1 Q99705 4/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
ACACB O00763 2/20 0.35
GCK P35557 1/20 0.34
GCKR Q14397 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
SCHEMBL1994806 0.94 HRH3 (0.39) HRH3PIK3CAMTORGCKGCKR
SCHEMBL1991781 0.91 CHRNB2 (0.37) HRH3PIK3CAMTORCHRNB2CHRNA4
SCHEMBL25243349 0.85 MAPT (0.38) HRH3MCHR1ACACB
SCHEMBL25243350 0.85 MAPT (0.38) HRH3MCHR1ACACB
SCHEMBL1977586 0.85 CHRNB2 (0.48) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1977584 0.85 CHRNB2 (0.48) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1979952 0.85 CHRNB2 (0.48) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2792128 0.81 PIK3CA (0.49) HRH3PIK3CAMTORMCHR1CHRNB2
SCHEMBL18291701 0.81 HRH3 (0.35) HRH3PIK3CAMTORMCHR1CHRNB2
SCHEMBL18291482 0.81 HRH3 (0.35) HRH3PIK3CAMTORMCHR1CHRNB2

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 HRH3 2304/4885PIK3CA 108/4885MTOR 158/4885

“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.