SCHEMBL1309198

SCHEMBL1309198

C[C@@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 1.00
▸ PIK3CA P42336 19/20 1.00
▸ PIK3R1 P27986 4/20 0.78
▸ RPTOR Q8N122 3/20 0.78
▸ MLST8 Q9BVC4 3/20 0.78
▸ PIK3CG P48736 2/20 0.78
▸ RICTOR Q6R327 2/20 0.78
▸ MAPKAP1 Q9BPZ7 2/20 0.78
▸ PIK3CD O00329 1/20 0.78
▸ PIK3C2B O00750 1/20 0.78
▸ PIK3CB P42338 1/20 0.78
▸ PRKDC P78527 1/20 0.78
▸ PIK3C3 Q8NEB9 1/20 0.78
▸ PI4KB Q9UBF8 1/20 0.78

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
SCHEMBL1309201 1.00 MTOR (1.00) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL1311873 1.00 MTOR (1.00) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL20692869 0.95 PIK3CA (1.00) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL29880111 0.95 PIK3CA (1.00) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL18117884 0.94 MTOR (0.89) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL18117890 0.94 MTOR (0.89) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL1309910 0.89 MTOR (1.00) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL1310010 0.89 MTOR (1.00) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL1310025 0.89 MTOR (0.80) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL1309306 0.89 MTOR (0.80) MTORPIK3CAPIK3R1RPTORMLST8

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-2364302-B1 TRIAZINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIV BASEL (CH) 2016-10-05 — — 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 MTOR 1/4885PIK3CA 2/4885PIK3R1 21/4885

“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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