SCHEMBL20037572

SCHEMBL20037572

CC(C)(C)[Si](C)(C)OC1CCCN(Cc2ccc(N)nc2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
TMEM97 Q5BJF2 4/20 0.38
LTA4H P09960 1/20 0.38
ROCK1 Q13464 4/20 0.38
ROCK2 O75116 2/20 0.38
KCNH2 Q12809 1/20 0.38
DRD4 P21917 4/20 0.38
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL20037566 0.93 MCHR1 (0.45) MCHR1LTA4H
SCHEMBL20037701 0.88 MCHR1 (0.36) MCHR1LTA4HDRD4
SCHEMBL20037569 0.86 MCHR1 (0.39) MCHR1
SCHEMBL20037696 0.83 CD274 (0.39) NPSR1BCHE
SCHEMBL6855792 0.81 BCHE (0.53) ROCK1ROCK2KCNH2BCHE
SCHEMBL20037697 0.75 DCPS (0.39)
SCHEMBL18291766 0.74 ALDH1A1 (0.58) MCHR1LTA4H
SCHEMBL18291757 0.74 ALDH1A1 (0.58) MCHR1LTA4H
SCHEMBL18291758 0.74 ALDH1A1 (0.58) MCHR1LTA4H
SCHEMBL20037561 0.74 HRH3 (0.40) MCHR1

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 4511/4885SIGMAR1 4473/4885TMEM97 4593/4885

“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.