SCHEMBL21078709

SCHEMBL21078709

Cc1c(Cc2c(CO[Si](C)(C)C(C)(C)C)nc3c(-c4nccn4S(=O)(=O)N(C)C)cc(C4=CCOCC4)cn23)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.44
PIK3C2B O00750 17/20 0.44
PIK3CG P48736 10/20 0.44
PIK3CB P42338 8/20 0.41
MTOR P42345 10/20 0.35
PIK3CA P42336 4/20 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
SCHEMBL19736617 0.89 PIK3CD (0.45) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736721 0.83 PIK3CD (0.48) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736620 0.81 PIK3CD (0.43) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL17858581 0.80 PIK3CD (0.56) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736715 0.80 PIK3CD (0.41) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736866 0.79 PIK3CD (0.46) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736614 0.78 PIK3CD (0.46) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL21078724 0.77 PIK3CD (0.31) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL19736618 0.74 PIK3CD (0.44) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR
SCHEMBL19736644 0.73 PIK3CD (0.61) PIK3CDPIK3C2BPIK3CGPIK3CBMTOR

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-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

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 PIK3CD 2/4885PIK3C2B 7/4885PIK3CG 5/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3C2B 7/4885PIK3CG 5/4885

“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.