SCHEMBL20038121

SCHEMBL20038121

CC(CO)N1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.52
SCN9A Q15858 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PANK3 Q9H999 4/20 0.36
CDK4 P11802 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
SCHEMBL20255262 0.83 OGA (0.58) OGAHRH3
SCHEMBL20249304 0.80 OGA (0.42) OGASCN9AHRH3TLR9TLR8
SCHEMBL20037465 0.77 OGA (0.52) OGAHRH3PANK3
SCHEMBL20038242 0.77 OGA (0.46) OGAPANK3
SCHEMBL20038154 0.76 OGA (0.48) OGAHRH3TLR9TLR8TLR7
SCHEMBL11527143 0.74 HTR3A (0.56) OGAHRH3
SCHEMBL20037923 0.74 GAA (0.44) OGA
SCHEMBL20037519 0.73 MAP4K4 (0.49) OGAPANK3
SCHEMBL20255588 0.73 OGA (0.41) OGASCN9APANK3
SCHEMBL11059831 0.72 SORD (0.54) OGA

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 4627/4885SCN9A 3308/4885HRH3 2304/4885

“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.