SCHEMBL3418876

SCHEMBL3418876

O=Cc1nc2nc(-c3cncnc3)nc(N3CCOCC3)c2s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.41
MTOR P42345 12/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CG P48736 8/20 0.39
PIK3CD O00329 7/20 0.39
PIK3CB P42338 6/20 0.39
SYK P43405 1/20 0.39
MAP3K9 P80192 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1309917 0.82 PIK3CA (0.40) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL3418867 0.81 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL12110591 0.80 PIK3CA (0.44) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL12110507 0.77 PIK3CA (0.46) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL1191805 0.77 SMN1; SMN2 (0.37) PIK3CAPIK3R1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1309975 0.76 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL1192483 0.76 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL3422884 0.75 PIK3CA (0.40) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL1192331 0.70 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL27953611 0.70 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CGPIK3CD

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
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
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 1/4885PIK3R1 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.