SCHEMBL20037566

SCHEMBL20037566

CC(C)(C)[Si](C)(C)OC1CCN(Cc2ccc(N)nc2)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.45
LTA4H P09960 2/20 0.36
SSTR5 P35346 1/20 0.36
KMT2A Q03164 1/20 0.35
MET P08581 1/20 0.33
TEAD1 P28347 2/20 0.33
HRH3 Q9Y5N1 2/20 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
SCHEMBL20037572 0.93 MCHR1 (0.39) MCHR1LTA4H
SCHEMBL20037569 0.93 MCHR1 (0.39) MCHR1SSTR5KMT2ATEAD1HRH3
SCHEMBL20037701 0.90 MCHR1 (0.36) MCHR1LTA4HSSTR5KMT2AMET
SCHEMBL1235952 0.80 ACHE (0.48) MCHR1LTA4HHRH3
SCHEMBL1804779 0.80 ACHE (0.48) MCHR1LTA4HHRH3
SCHEMBL20037697 0.79 DCPS (0.39) SSTR5KMT2A
SCHEMBL20037561 0.78 HRH3 (0.40) MCHR1HRH3
SCHEMBL20037696 0.78 CD274 (0.39) KMT2A
SCHEMBL3859413 0.78 LMNA (0.48) MCHR1TEAD1HRH3
SCHEMBL18291606 0.77 PIK3CA (0.45) MCHR1LTA4HSSTR5KMT2AHRH3

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 MCHR1 4511/4885LTA4H 3374/4885SSTR5 2397/4885

“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.