SCHEMBL1310074

SCHEMBL1310074

CC(=O)Nc1ccc(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.54
PIK3CA P42336 2/20 0.46
MTOR P42345 2/20 0.46
ADORA2A P29274 5/20 0.44
ADORA1 P30542 5/20 0.44
RAF1 P04049 8/20 0.43
BRAF P15056 8/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CB P42338 1/20 0.42
KCNH2 Q12809 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
SCHEMBL1312182 0.86 PIK3R1 (0.52) PIK3R1PIK3CAMTORADORA2AADORA1
SCHEMBL1310373 0.86 ADORA2A (0.49) PIK3R1PIK3CAMTORADORA2AADORA1
SCHEMBL1310725 0.83 PIK3R1 (0.55) PIK3R1PIK3CAMTORPIK3CB
SCHEMBL1310933 0.82 PIK3R1 (0.79) PIK3R1PIK3CAMTORADORA2AADORA1
SCHEMBL1311972 0.79 PIK3CA (0.53) PIK3R1PIK3CAMTORPIK3CB
SCHEMBL1311602 0.79 PIK3CA (0.55) PIK3R1PIK3CAMTORADORA2AADORA1
SCHEMBL1311711 0.79 PIK3CA (0.65) PIK3R1PIK3CAMTORALDH1A1PIK3CB
SCHEMBL1309277 0.77 PIK3R1 (0.59) PIK3R1PIK3CAMTORADORA2AADORA1
SCHEMBL1309468 0.74 MTOR (0.57) PIK3R1PIK3CAMTORPIK3CB
SCHEMBL1310959 0.73 PIK3CA (0.53) PIK3R1PIK3CAMTORADORA2AADORA1

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 PIK3R1 21/4885PIK3CA 2/4885MTOR 1/4885

“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.