SCHEMBL1309984

SCHEMBL1309984

Nc1ncc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)c(C(F)(F)F)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.60
MTOR P42345 7/20 0.60
PIK3CB P42338 4/20 0.60
PIK3CD O00329 2/20 0.60
PIK3R1 P27986 2/20 0.60
PIK3CG P48736 2/20 0.60
PIK3C2B O00750 1/20 0.60
PIK3C3 Q8NEB9 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HRH4 Q9H3N8 1/20 0.50
TSHR P16473 3/20 0.46
RPTOR Q8N122 1/20 0.45
MLST8 Q9BVC4 1/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL1309358 0.87 PIK3CA (0.62) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL1310542 0.84 PIK3CA (0.61) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL1311623 0.84 PIK3CA (0.66) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL23459542 0.80 HRH4 (0.75) LMNAMAPK1HRH4TSHRUSP2
SCHEMBL1311267 0.79 MAPK1 (0.61) PIK3CAMTORPIK3R1LMNAMAPK1
SCHEMBL1309020 0.77 PIK3CA (0.64) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL1311609 0.77 LMNA (0.59) PIK3CAMTORPIK3CDPIK3R1PIK3CG
SCHEMBL1309466 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL29879988 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CDPIK3R1
SCHEMBL1311667 0.76 LMNA (0.64) PIK3CAMTORPIK3CBPIK3CDPIK3R1

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.