SCHEMBL20249309

SCHEMBL20249309

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
SYK P43405 2/20 0.37
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 3/20 0.36
DRD3 P35462 2/20 0.36
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
GALR3 O60755 1/20 0.34
HTT P42858 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HRH1 P35367 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 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
SCHEMBL20249472 0.89 GAA (0.38) GAASYKHRH3CYP2C19CYP3A4
SCHEMBL20249326 0.85 AR (0.36) HRH3KCNH2DRD3LMNATSHR
SCHEMBL20249319 0.85 DRD3 (0.35) HRH3KCNH2DRD3LMNATSHR
SCHEMBL20249369 0.83 ALDH1A1 (0.38) SYKHRH3KCNH2DRD3LMNA
SCHEMBL20249342 0.83 PARP1 (0.35) HRH3KCNH2DRD3PARP1PARP2
SCHEMBL20249300 0.83 PIK3CD (0.43) HRH3KCNH2DRD3PARP1PARP2
SCHEMBL20249366 0.82 ALDH1A1 (0.36) HRH3KCNH2DRD3LMNATSHR
SCHEMBL20249115 0.82 SLC6A2 (0.42) HRH3KCNH2DRD3LMNATSHR
SCHEMBL20249402 0.81 TLR8 (0.37) HRH3KCNH2DRD3LMNATSHR
SCHEMBL20255265 0.81 DRD3 (0.36) GAAHRH3KCNH2DRD3CYP2C19

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 GAA 2747/4885SYK 609/4885HRH3 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.