SCHEMBL1311548

SCHEMBL1311548

CS(=O)(=O)c1nc2nc(-c3cccc4[nH]cnc34)nc(N3CCOCC3)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.54
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 0.47
CHEK1 O14757 2/20 0.47
ATRIP Q8WXE1 1/20 0.47
PIK3CA P42336 12/20 0.47
PIK3CG P48736 11/20 0.47
PIK3CD O00329 8/20 0.45
PIK3CB P42338 7/20 0.45
MTOR P42345 4/20 0.43
PIK3C2A O00443 1/20 0.43
PLK4 O00444 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3C2B O00750 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
DAPK3 O43293 1/20 0.43
STK16 O75716 1/20 0.43
PIK3C2G O75747 1/20 0.43
NTRK1 P04629 1/20 0.43

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
SCHEMBL1309876 0.85 PIK3CD (0.61) ATRPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1309916 0.83 PIK3CD (0.57) ATRPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1309706 0.82 PIK3CA (0.62) ATRPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1309340 0.80 ATR (0.49) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL1309447 0.79 PIK3CA (0.53) ATRPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL222601 0.76 PIK3CD (0.77) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1311249 0.75 MTOR (0.59) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1311245 0.75 ATR (0.52) ATRPDCD1CD274CHEK1ATRIP
SCHEMBL1310504 0.75 PIK3CA (0.62) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1310436 0.73 PIK3CA (0.59) PIK3CAPIK3CGPIK3CDPIK3CBMTOR

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 ATR 1107/4885PDCD1 1063/4885CD274 2406/4885

“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.