SCHEMBL4936100

SCHEMBL4936100

O=C(Nc1ccc(F)c(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)c1)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.48
PIK3CA P42336 8/20 0.48
RAF1 P04049 10/20 0.43
BRAF P15056 9/20 0.43
PIK3CG P48736 4/20 0.42
AKT1 P31749 1/20 0.42
PIK3R1 P27986 2/20 0.41
PIK3CD O00329 2/20 0.41

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
SCHEMBL30599038 1.00 MTOR (0.48) MTORPIK3CARAF1BRAFPIK3CG
SCHEMBL4931004 0.89 PIK3CA (0.52) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL30599041 0.89 PIK3CA (0.52) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL4603511 0.89 PIK3CA (0.52) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL4937769 0.84 MTOR (0.45) MTORPIK3CARAF1BRAFPIK3CG
SCHEMBL5182201 0.82 PIK3CA (0.51) MTORPIK3CARAF1BRAFPIK3CG
SCHEMBL4934405 0.79 PIK3CA (0.58) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL5593037 0.79 PIK3CA (0.66) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL4937600 0.78 JAK3 (0.53) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL4603008 0.77 PIK3CA (0.53) MTORPIK3CAPIK3CGPIK3R1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171462-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2025-05-29 US claimed
WO-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 WO claimed
US-20250171462-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2025-05-29 US disclosed
WO-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 WO disclosed
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 US disclosed
EP-1778681-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006005918-A1 2, 4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 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-20250171462-A1 COMPOUNDS, COMPOSITIONS, AND METHODS SARM1, SARS1, TIAM1 MTOR 196/4885PIK3CA 1307/4885RAF1 286/4885
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB MTOR 288/4885PIK3CA 1/4885RAF1 184/4885

“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.