SCHEMBL20038093

SCHEMBL20038093

CC(C)(O)CN1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.41
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
AR P10275 1/20 0.37
RET P07949 1/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
DCTPP1 Q9H773 2/20 0.35
SCD O00767 2/20 0.33
ALOX5AP P20292 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
ACVR1 Q04771 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
SCHEMBL18291192 0.84 OGA (0.40) OGATLR9TLR8TLR7AR
SCHEMBL20249351 0.82 TRPV1 (0.38) OGATLR9TLR8TLR7AR
SCHEMBL20038405 0.82 OGA (0.40) OGAARRET
SCHEMBL20037923 0.77 GAA (0.44) OGA
SCHEMBL20255588 0.77 OGA (0.41) OGASCDGPR119TRPV1HTR3E
SCHEMBL20038242 0.77 OGA (0.46) OGARET
SCHEMBL16430192 0.76 OGA (0.45) OGATRPV1HRH3HTR3EHTR3B
SCHEMBL20038154 0.76 OGA (0.48) OGATLR9TLR8TLR7RET
SCHEMBL20037868 0.75 OGA (0.39) OGAPIK3CAMTOR
SCHEMBL11527143 0.74 HTR3A (0.56) OGAHRH3HTR3EHTR3BHTR3A

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 OGA 4627/4885TLR9 1593/4885TLR8 2343/4885

“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.