SCHEMBL20249352

SCHEMBL20249352

CC(C)(C)c1ccc(N2CCN(CO)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.39
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GAA P10253 2/20 0.35
OGA O60502 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BPTF Q12830 1/20 0.34
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL20249151 0.88 GAA (0.47) TRPV1GAAKDM4E
SCHEMBL20249351 0.85 TRPV1 (0.38) TRPV1VEGFAEGLN1GPR119GAA
SCHEMBL20249301 0.84 TRPV1 (0.36) TRPV1VEGFAEGLN1GPR119GAA
SCHEMBL20249349 0.82 DRD2 (0.43) TRPV1OGA
SCHEMBL20249395 0.82 OGA (0.39) TRPV1OGA
SCHEMBL20249320 0.82 OGA (0.39) TRPV1VEGFAEGLN1GAAOGA
SCHEMBL20249389 0.81 ALDH1A1 (0.42) TRPV1VEGFAEGLN1GPR119GAA
SCHEMBL20249379 0.81 POLB (0.36) TRPV1VEGFAEGLN1GAAOGA
SCHEMBL20249371 0.80 HTR1A (0.41) TRPV1GPR119GAAPPARGPPARA
SCHEMBL20249268 0.80 HRH4 (0.51) KDM4EHRH4HRH3CYP1A2

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
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US 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 TRPV1 3672/4885VEGFA 846/4885EGLN1 3420/4885

“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.