SCHEMBL21189214

SCHEMBL21189214

CNCCNc1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3ccccc32)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 1.00
PIK3CD O00329 16/20 1.00
PIK3CA P42336 16/20 1.00
PIK3CG P48736 15/20 1.00
PIK3R1 P27986 4/20 0.72
PIK3C2B O00750 1/20 0.72
MTOR P42345 1/20 0.72

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
SCHEMBL21189260 0.89 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029820 0.89 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL21189169 0.89 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029425 0.89 PIK3CB (0.81) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029821 0.89 PIK3CB (0.79) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029323 0.89 PIK3CB (0.79) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029816 0.87 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL21189282 0.87 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029357 0.87 PIK3CB (0.77) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL994227 0.86 PIK3CB (0.77) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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-10919877-B2 Multifunctional inhibitors of MEK/PI3K and mTOR/MEK/PI3K biological pathways and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-02-16 US disclosed
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-25 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-10919877-B2 Multifunctional inhibitors of MEK/PI3K and mTOR/MEK/PI3K biological pathways and therapeutic methods using the same MTOR, PIK3CA, MAPKAP1 PIK3CB 16/4885PIK3CD 10/4885PIK3CA 2/4885
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME MTOR, PIK3CA, MAPKAP1 PIK3CB 16/4885PIK3CD 10/4885PIK3CA 2/4885

“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.