SCHEMBL20249241

SCHEMBL20249241

CC(C)(C)c1ccc(N2CCC3(CC2)COC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PRMT5 O14744 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.36
CNR2 P34972 6/20 0.35
DHFR P00374 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RORC P51449 1/20 0.35
HSD11B1 P28845 1/20 0.35
LRRK2 Q5S007 1/20 0.34
TTK P33981 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PDE9A O76083 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
SCHEMBL20037582 0.81 CYP11B1 (0.43) CYP11B1CYP11B2PRMT5POLBKCNH2
SCHEMBL20249227 0.81 DHFR (0.40) POLBCNR2DHFRHSD11B1
SCHEMBL14008911 0.80 POLB (0.55) POLBCNR2PIK3CAHSD11B1
SCHEMBL17688928 0.79 HSD11B1 (0.43) DHFRHSD11B1PARP1PARP2
SCHEMBL22601459 0.78 MAPT (0.50) DHFRHSD11B1
SCHEMBL20038068 0.78 CYP11B1 (0.43) CYP11B1CYP11B2PRMT5POLBPIK3CA
SCHEMBL18053868 0.78 PIK3CA (0.49) CYP11B1CYP11B2PRMT5POLBPIK3CA
SCHEMBL22680902 0.77 MAPT (0.46) CYP11B1CYP11B2RORCHSD11B1LRRK2
SCHEMBL23108897 0.77 PRMT5 (0.46) CYP11B1CYP11B2PRMT5POLBPIK3CA
SCHEMBL23103355 0.77 PRMT5 (0.41) CYP11B1CYP11B2PRMT5POLBPIK3CA

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 1 patent. 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

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 CYP11B1 963/4885CYP11B2 1006/4885PRMT5 1897/4885

“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.