SCHEMBL20249207

SCHEMBL20249207

CC(C)(C)c1ccc(CN2CCOCC2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
GRM2 Q14416 1/20 0.38
PER2 O15055 1/20 0.38
CCR9 P51686 3/20 0.37
JAK2 O60674 1/20 0.37
CYP11B1 P15538 2/20 0.37
KLKB1 P03952 1/20 0.35
GRIA2 P42262 1/20 0.35

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
SCHEMBL20249142 0.89 CCR9 (0.36) CCR9GRIA2
SCHEMBL20249205 0.85 SIGMAR1 (0.41) CYP11B2PIK3CAMTORPER2
SCHEMBL18291185 0.83 CHRM1 (0.43) CYP11B2PIK3CAMTORGRM2JAK2
SCHEMBL20249210 0.80 L3MBTL1 (0.49) CCR9GRIA2
SCHEMBL18291702 0.80 CYP11B2 (0.43) CYP11B2PIK3CAMTORGRM2JAK2
SCHEMBL20037864 0.80 CYP11B2 (0.41) CYP11B2PIK3CAMTORGRM2JAK2
SCHEMBL5737672 0.80 POLB (0.47) GRM2PER2JAK2
SCHEMBL29491140 0.79 POLB (0.50) CYP11B2PIK3CAMTORGRM2JAK2
SCHEMBL2739651 0.78 HRH3 (0.51)
SCHEMBL20249148 0.78 CDK4 (0.40) CCR9

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 CYP11B2 1006/4885PIK3CA 108/4885MTOR 158/4885

“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.