SCHEMBL1309975

SCHEMBL1309975

c1ncc(-c2nc(N3CCOCC3)c3scnc3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.49
MTOR P42345 11/20 0.49
PIK3CG P48736 6/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CD O00329 2/20 0.44
SYK P43405 1/20 0.42
MAP3K9 P80192 1/20 0.42
PIK3R1 P27986 2/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
PIK3C2B O00750 1/20 0.39
CCNE2 O96020 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL1311683 0.86 PIK3CA (0.66) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1311206 0.86 PIK3CA (0.60) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1309648 0.82 PIK3CD (0.48) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1311251 0.82 PIK3CA (0.49) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1309850 0.81 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1308864 0.78 PIK3CA (0.68) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1309577 0.78 PIK3CA (0.60) PIK3CAMTORPIK3CGPIK3CDSYK
SCHEMBL1310406 0.78 PIK3CA (0.71) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL3418876 0.76 PIK3CA (0.41) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1192187 0.76 PIK3CA (0.43) PIK3CAMTORPIK3R1SMN1; SMN2

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 9 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
EP-2364302-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2011-09-14 EP 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 1/4885PIK3CG 16/4885

“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.