SCHEMBL19736613

SCHEMBL19736613

CC(C)(C)[Si](C)(C)OCc1nc2ccc(N3CCOCC3)cn2c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ MAPT P10636 9/20 0.34
▸ TP53 P04637 5/20 0.34
▸ GAA P10253 3/20 0.34
▸ ALOX5 P09917 3/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ AGXT P21549 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL19736820 0.80 SLC2A1 (0.40) SLC2A1ENPP2PIK3CAMTORMAPT
SCHEMBL19736839 0.79 SLC2A1 (0.46) SLC2A1ENPP2PIK3CAMTORMAPT
SCHEMBL19736954 0.77 MAPT (0.36) SLC2A1PIK3CAMTORMAPTTP53
SCHEMBL19736856 0.77 GAA (0.47) SLC2A1MTORMAPTTP53GAA
SCHEMBL19736822 0.76 PIK3CD (0.45) PIK3CAMTOR
SCHEMBL19736953 0.75 ENPP2 (0.43) SLC2A1ENPP2
SCHEMBL19736705 0.75 SLC2A1 (0.46) SLC2A1ENPP2PIK3CAMTORMAPT
SCHEMBL19736841 0.74 AKT1 (0.44) SLC2A1ENPP2MAPTGAASMN1; SMN2
SCHEMBL19736615 0.72 SLC2A1 (0.44) SLC2A1ENPP2PIK3CAMTORMAPT
SCHEMBL29668467 0.72 SLC2A1 (0.41) SLC2A1MAPTGAASMN1; SMN2MAPK1

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 SLC2A1 3594/4885ENPP2 2156/4885PIK3CA 1/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB SLC2A1 3594/4885ENPP2 2156/4885PIK3CA 1/4885

“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.

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