SCHEMBL1311063

SCHEMBL1311063

N#Cc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.56
MTOR P42345 11/20 0.56
PIK3R1 P27986 7/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.46
RICTOR Q6R327 1/20 0.44
RPTOR Q8N122 1/20 0.44
MAPKAP1 Q9BPZ7 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
PIK3CG P48736 2/20 0.44
PIK3CD O00329 1/20 0.43
PIK3C2B O00750 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL18117958 0.95 ALDH1A1 (0.56) PIK3CAMTORPIK3R1ALDH1A1KDM4E
SCHEMBL1309526 0.80 PIK3CA (0.66) PIK3CAMTORPIK3R1ALDH1A1KDM4E
SCHEMBL12111338 0.80 ALDH1A1 (0.51) PIK3CAMTORPIK3R1ALDH1A1KDM4E
SCHEMBL1309147 0.79 PIK3CA (0.59) PIK3CAMTORPIK3R1KDM4ELMNA
SCHEMBL1309557 0.79 PIK3CA (0.59) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1310035 0.79 PIK3CA (0.59) PIK3CAMTORPIK3R1KDM4ERICTOR
SCHEMBL1308487 0.79 PIK3CA (0.68) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1310917 0.79 PIK3CA (0.59) PIK3CAMTORPIK3R1LMNARICTOR
SCHEMBL1312053 0.77 PIK3CA (0.57) PIK3CAMTORPIK3R1KDM4EMAPK1
SCHEMBL18117939 0.76 ALDH1A1 (0.54) PIK3CAMTORPIK3R1ALDH1A1KDM4E

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
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

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.