SCHEMBL20249472

SCHEMBL20249472

CC(C)(C)c1ccc(N2CCN(CCO)CCC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
SYK P43405 2/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
AKR1C3 P42330 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
SCHEMBL20249309 0.89 GAA (0.37) GAASYKLMNATSHRGALR3
SCHEMBL20249341 0.86 HTT (0.35) LMNATSHRGALR3HTTALOX5AP
SCHEMBL20038327 0.84 DRD3 (0.47) GAACYP2C19CYP3A4ALDH1A1OPRM1
SCHEMBL20249440 0.84 KCNH2 (0.35) LMNATSHRGALR3HTTHRH3
SCHEMBL20249457 0.84 KCNH2 (0.35) LMNATSHRGALR3HTTHRH3
SCHEMBL20249324 0.83 NPC1 (0.42) KMT2AAKR1C3
SCHEMBL20038358 0.81 ALDH1A1 (0.36) GAACYP2C19CYP3A4ALDH1A1OPRM1
SCHEMBL20203463 0.81 ALDH1A1 (0.38) GAACYP2C19CYP3A4ALDH1A1POLB
SCHEMBL20249105 0.81 GAA (0.46) GAASYKLMNATSHRCYP2C19
SCHEMBL21414404 0.80 HRH3 (0.37) CYP2C19ALDH1A1POLBOPRM1OPRL1

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 609/4885LMNA 3947/4885

“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.