SCHEMBL20249369

SCHEMBL20249369

CC(C)(C)c1ccc(N2CCN(CC(N)=O)CC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HRH3 Q9Y5N1 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
DPP4 P27487 1/20 0.34
SYK P43405 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 2/20 0.33
DRD3 P35462 1/20 0.33
SCN9A Q15858 1/20 0.33
AR P10275 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
SCHEMBL20249402 0.86 TLR8 (0.37) ALDH1A1HRH3OPRM1OPRL1PPARD
SCHEMBL20038352 0.84 KCNH2 (0.46) ALDH1A1HRH3OPRM1OPRL1SYK
SCHEMBL20249326 0.83 AR (0.36) HRH3DPP4PPARDPPARAPARP1
SCHEMBL20249309 0.83 GAA (0.37) ALDH1A1HRH3OPRM1OPRL1SYK
SCHEMBL20249319 0.83 DRD3 (0.35) HRH3DPP4PPARDPPARAPARP1
SCHEMBL20037476 0.82 HSP90AA1 (0.35) ALDH1A1HRH3OPRM1OPRL1SYK
SCHEMBL20249342 0.81 PARP1 (0.35) HRH3PPARDPPARAPARP1PARP2
SCHEMBL20249300 0.81 PIK3CD (0.43) HRH3DPP4PARP1PARP2KCNH2
SCHEMBL20249366 0.80 ALDH1A1 (0.36) ALDH1A1HRH3DPP4PPARDPPARA
SCHEMBL20249115 0.77 SLC6A2 (0.42) HRH3GALR3LMNATSHRHTT

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 ALDH1A1 944/4885HRH3 2304/4885OPRM1 4815/4885

“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.