SCHEMBL1309314

SCHEMBL1309314

c1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(N2CCCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.57
PIK3R1 P27986 5/20 0.57
PIK3CB P42338 2/20 0.57
PIK3CD O00329 1/20 0.57
MTOR P42345 6/20 0.52
EIF2AK2 P19525 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CCNT1 O60563 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49
TSHR P16473 1/20 0.49
ACHE P22303 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL1309070 0.99 PIK3CA (0.56) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1309279 0.95 PIK3CA (0.61) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1309410 0.87 POLB (0.54) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1310118 0.87 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1310329 0.85 PIK3CA (0.46) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1310410 0.85 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1310137 0.83 NPSR1 (0.48) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL7925159 0.82 PIK3CA (0.59) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1310851 0.81 LMNA (0.51) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL1310228 0.81 HTT (0.68) PIK3CAPIK3R1PIK3CBPIK3CDMTOR

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
EP-2364302-B1 TRIAZINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIV BASEL (CH) 2016-10-05 EP 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-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

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 2/4885PIK3R1 21/4885PIK3CB 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.