SCHEMBL1308693

SCHEMBL1308693

c1ccc2c(c1)[nH]c1cc(-c3nc(N4CCOCC4)c4scnc4n3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.48
PIK3CG P48736 10/20 0.46
MTOR P42345 9/20 0.46
PIK3CD O00329 4/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3C2B O00750 1/20 0.41
CCNE2 O96020 1/20 0.41

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
SCHEMBL1309491 0.81 PIK3CA (0.46) PIK3CAPIK3CGMTORPIK3CDLMNA
SCHEMBL1310406 0.81 PIK3CA (0.71) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL1310841 0.79 PIK3CA (0.58) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL1309577 0.79 PIK3CA (0.60) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL1309555 0.78 PIK3CA (0.52) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL1308864 0.77 PIK3CA (0.68) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL1311475 0.77 PIK3CA (0.49) PIK3CAPIK3CGMTORPIK3CDMAPK10
SCHEMBL1311251 0.75 PIK3CA (0.49) PIK3CAPIK3CGMTORPIK3CDPIK3CB
SCHEMBL1309414 0.74 PIK3CA (0.72) PIK3CAPIK3CGMTORPIK3CDPIK3C2B
SCHEMBL1309475 0.74 PIK3CD (0.64) PIK3CAPIK3CGMTORPIK3CDPIK3CB

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 5 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-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 2/4885PIK3CG 16/4885MTOR 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.