SCHEMBL1311095

SCHEMBL1311095

Fc1cc(-c2nc(NCc3ccccn3)nc(N3CCOCC3)n2)c2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.47
PIK3CA P42336 10/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
ATR Q13535 7/20 0.46
MTOR P42345 2/20 0.46
HTT P42858 1/20 0.42
PIK3CD O00329 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHEK1 O14757 1/20 0.40
PDCD1 Q15116 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL1311145 0.93 PIK3CA (0.53) CSNK1DPIK3CAPIK3CBPIK3CGATR
SCHEMBL1308914 0.88 PIK3CA (0.59) PIK3CAPIK3CBPIK3CGATRMTOR
SCHEMBL1311120 0.83 PIK3CD (0.50) CSNK1DPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1309973 0.83 PIK3CA (0.48) CSNK1DPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1311104 0.82 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGATRMTOR
SCHEMBL1309852 0.82 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGATRMTOR
SCHEMBL1308458 0.82 ATR (0.59) PIK3CAATRMTORPIK3CDCYP3A4
SCHEMBL1311242 0.81 PIK3CA (0.59) CSNK1DPIK3CAPIK3CBPIK3CGATR
SCHEMBL1308679 0.81 PIK3CA (0.56) CSNK1DPIK3CAPIK3CBPIK3CGATR
SCHEMBL1308583 0.80 PIK3CA (0.52) CSNK1DPIK3CAPIK3CBPIK3CGATR

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 CSNK1D 1381/4885PIK3CA 2/4885PIK3CB 7/4885

“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.