SCHEMBL19736985

SCHEMBL19736985

CC(C)(C)[Si](C)(C)OCc1cn2cc(C3=CCOCC3)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.36
ENPP2 Q13822 2/20 0.36
HTR1D P28221 1/20 0.35
AAK1 Q2M2I8 1/20 0.33
PIK3CD O00329 5/20 0.33
PIK3CA P42336 5/20 0.33
MAPK14 Q16539 3/20 0.32
DYRK1A Q13627 2/20 0.31
PIK3R1 P27986 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL19736953 0.79 ENPP2 (0.43) SUV39H2ENPP2HTR1DAAK1DYRK1A
SCHEMBL19736954 0.73 MAPT (0.36) SUV39H2PIK3CA
SCHEMBL14745402 0.72 RAB9A (0.44) PIK3CG
SCHEMBL21014272 0.72 KDM4E (0.50) PIK3CDPIK3CA
SCHEMBL21033469 0.71 ENPP2 (0.39) SUV39H2ENPP2HTR1DAAK1PIK3CD
SCHEMBL19736843 0.71 ATR (0.44)
SCHEMBL19736862 0.70 PIK3CD (0.32) SUV39H2PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL21033161 0.70 PTGS1 (0.43) SUV39H2ENPP2PIK3CDPIK3CADYRK1A
SCHEMBL19736614 0.69 PIK3CD (0.46) ENPP2AAK1PIK3CDPIK3CAPIK3CB
SCHEMBL21078724 0.69 PIK3CD (0.31) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-19 US disclosed
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-06-06 US disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO 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 (2 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-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors PIK3CA, PIK3CD, PIK3CB SUV39H2 2093/4885ENPP2 2156/4885HTR1D 2063/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB SUV39H2 2093/4885ENPP2 2156/4885HTR1D 2063/4885

“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.