SCHEMBL18291345

SCHEMBL18291345

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(N)nc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.57
FEN1 P39748 1/20 0.57
GPR119 Q8TDV5 2/20 0.46
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNB1 P11230 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB3 Q05901 2/20 0.45
CHEK2 O96017 1/20 0.44
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
PDE8B O95263 1/20 0.41

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
SCHEMBL18291353 1.00 ALOX5AP (0.57) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL18291358 0.93 ALOX5AP (0.50) ALOX5APFEN1GPR119CHRNA3
SCHEMBL7372804 0.88 CHRNB2 (0.60) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL7371666 0.88 CHRNB2 (0.60) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL8437928 0.87 CHRNB2 (0.61) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL7418829 0.87 ALOX5AP (0.53) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL8435310 0.87 CHRNB2 (0.61) ALOX5APFEN1GPR119CHRNB2CHRNA4
SCHEMBL6195438 0.86 ALOX5AP (0.52) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL6182367 0.86 ALOX5AP (0.52) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL8436171 0.86 ALOX5AP (0.48) ALOX5APFEN1GPR119CHRNB2CHRNA4

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 3 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
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO 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 ALOX5AP 3913/4885FEN1 1799/4885GPR119 2218/4885

“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.