SCHEMBL20249205

SCHEMBL20249205

CC(C)(C)c1ccc(CCCN2CCOCC2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
PER2 O15055 1/20 0.35
PDK2 Q15119 1/20 0.34
MOGAT2 Q3SYC2 4/20 0.33
TSHR P16473 1/20 0.33
AOC2 O75106 1/20 0.33
AOC3 Q16853 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
CYP11B2 P19099 2/20 0.32
POLB P06746 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL20249207 0.85 CYP11B2 (0.40) PER2CYP11B2PIK3CAMTOR
SCHEMBL18291178 0.84 NAMPT (0.38) SIGMAR1TSHRPRKAB2PRKAG1PRKAA2
SCHEMBL20249199 0.82 ALDH1A1 (0.43) PDK2MOGAT2TSHRPOLBKMT2A
SCHEMBL20037772 0.82 HTT (0.36) SIGMAR1PER2PDK2TSHRAOC3
SCHEMBL18291627 0.82 NAMPT (0.38) SIGMAR1PDK2AOC3PRKAB2PRKAG1
SCHEMBL20249142 0.75 CCR9 (0.36)
SCHEMBL12228951 0.74 ALDH1A1 (0.39) MOGAT2TSHRPOLBHTTKMT2A
SCHEMBL20249137 0.71 PTGS2 (0.46) MTOR
SCHEMBL17069877 0.70 PER2 (0.39) PER2PDK2PRKAB2PRKAG1PRKAA2
SCHEMBL2739651 0.69 HRH3 (0.51) SIGMAR1HTT

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 SIGMAR1 4473/4885PER2 2006/4885PDK2 115/4885

“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.