SCHEMBL1309867

SCHEMBL1309867

FC(F)(F)c1cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c2cc[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.74
PIK3CB P42338 10/20 0.74
PIK3CG P48736 10/20 0.74
PIK3CD O00329 9/20 0.74
PIK3R1 P27986 2/20 0.55
MTOR P42345 2/20 0.55
PIK3C2B O00750 2/20 0.55
PIK3C2A O00443 1/20 0.55
CHUK O15111 1/20 0.55
DAPK3 O43293 1/20 0.55
PIK3C2G O75747 1/20 0.55
RAF1 P04049 1/20 0.55
BRAF P15056 1/20 0.55
CSNK2A2 P19784 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
FLT3 P36888 1/20 0.55
CLK1 P49759 1/20 0.55
CLK2 P49760 1/20 0.55
CLK3 P49761 1/20 0.55

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
SCHEMBL1311569 0.89 PIK3CA (0.77) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL1311889 0.87 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL1164980 0.85 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL1310171 0.81 PIK3CD (0.60) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL18552526 0.81 PIK3CA (0.68) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL18553665 0.81 PIK3CA (0.65) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL10112601 0.80 PIK3CA (0.71) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL10276769 0.80 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL1309792 0.79 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL1311696 0.77 PIK3CA (0.61) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467387-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS. KARUS THERAPEUTICS LTD (GB) 2015-01-07 EP disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 US disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 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 (1 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-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CB 7/4885PIK3CG 16/4885

“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.