SCHEMBL1310482

SCHEMBL1310482

Nc1ccc(-c2nc(NCCc3ccccn3)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.61
MTOR P42345 7/20 0.61
PIK3R1 P27986 4/20 0.61
PIK3CG P48736 3/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CD O00329 1/20 0.49
HTT P42858 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1308757 0.91 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1309834 0.90 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1309956 0.89 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1309242 0.86 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1309586 0.85 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1311052 0.85 PIK3CA (0.57) PIK3CAPIK3CGPIK3CBPIK3CDHTT
SCHEMBL1311138 0.84 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL10328119 0.83 PIK3CA (0.70) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1310575 0.82 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1310800 0.81 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CGPIK3CB

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 6 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

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.