SCHEMBL1310035

SCHEMBL1310035

Fc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.59
MTOR P42345 14/20 0.59
PIK3R1 P27986 9/20 0.59
PIK3CG P48736 3/20 0.50
RICTOR Q6R327 2/20 0.50
RPTOR Q8N122 2/20 0.50
MAPKAP1 Q9BPZ7 2/20 0.50
MLST8 Q9BVC4 2/20 0.50
PIK3CB P42338 3/20 0.49
PIK3CD O00329 2/20 0.49
PIK3C2B O00750 2/20 0.49
PIK3C3 Q8NEB9 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
MAPT P10636 1/20 0.49
PRKDC P78527 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR2A P28223 1/20 0.45

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
SCHEMBL18117908 0.95 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL1308487 0.82 PIK3CA (0.68) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL1310917 0.82 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL1309147 0.82 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL1309557 0.82 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL16378481 0.82 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL1311771 0.82 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL1312053 0.80 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL1309387 0.79 MTOR (0.56) PIK3CAMTORPIK3R1PIK3CGRICTOR
SCHEMBL1311063 0.79 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CGRICTOR

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 PIK3CA 2/4885MTOR 1/4885PIK3R1 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.