SCHEMBL20037575

SCHEMBL20037575

CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](Oc2ccc(N)nc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
ESR1 P03372 2/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
DRD4 P21917 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LTA4H P09960 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 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
SCHEMBL20569180 0.82 CHRM2 (0.38) CHRM2CHRM3ESR1
SCHEMBL24322991 0.76 CLK2 (0.44) MCHR1CLK2CLK3DYRK1A
SCHEMBL20037565 0.75 CYP2D6 (0.37) DRD2DRD3DRD4
SCHEMBL20037564 0.75 CYP2D6 (0.37) DRD2DRD3DRD4
SCHEMBL18937320 0.75 HRH3 (0.51) CLK2CLK3DYRK1A
SCHEMBL25365519 0.74 GRIN1 (0.32) LTA4H
SCHEMBL20037737 0.73 MBOAT4 (0.38) MCHR1DRD2DRD3DRD4CLK2
SCHEMBL20255387 0.73 GCKR (0.33) SIGMAR1PIK3CA
SCHEMBL18291605 0.73 PIK3CA (0.41) KDM4EPIK3CA
SCHEMBL20037567 0.73 HRH3 (0.41) PIK3CA

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 4511/4885CHRM2 4833/4885CHRM3 4841/4885

“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.