SCHEMBL1310196

SCHEMBL1310196

Nc1ccc(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)c(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.56
MTOR P42345 8/20 0.51
PIK3CB P42338 4/20 0.51
NPSR1 Q6W5P4 1/20 0.47
PIK3C3 Q8NEB9 3/20 0.46
PIK3CD O00329 2/20 0.46
PIK3C2B O00750 2/20 0.46
PIK3R1 P27986 2/20 0.46
PIK3CG P48736 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
AKR1C3 P42330 1/20 0.46
PRKDC P78527 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46
RAF1 P04049 3/20 0.43
BRAF P15056 3/20 0.43
AKT1 P31749 2/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1311972 0.83 PIK3CA (0.53) PIK3CAMTORPIK3CBPIK3C3PIK3CD
SCHEMBL28047097 0.83 PIK3CA (0.71) PIK3CAMTORPIK3CBPIK3C3PIK3CD
SCHEMBL19461018 0.81 PIK3CA (0.68) PIK3CAMTORPIK3CBPIK3C3PIK3CD
SCHEMBL1311948 0.81 PIK3CA (0.71) PIK3CAMTORPIK3CBPIK3C3PIK3CD
SCHEMBL1309988 0.80 CRHBP (0.51) PIK3CAMTORNPSR1PIK3R1AKT1
SCHEMBL18470825 0.80 PIK3CA (0.55) PIK3CAMTORPIK3CBNPSR1PIK3C3
SCHEMBL1309599 0.78 PIK3CA (0.67) PIK3CAMTORPIK3CBPIK3C3PIK3CD
SCHEMBL1312182 0.77 PIK3R1 (0.52) PIK3CAMTORPIK3R1RAF1BRAF
SCHEMBL1311911 0.76 PIK3CA (0.53) PIK3CAMTORPIK3CBNPSR1PIK3C3
SCHEMBL7923443 0.76 MTOR (0.78) PIK3CAMTORPIK3CBPIK3C3PIK3CD

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-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 1/4885PIK3CB 7/4885

“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.