SCHEMBL1311206

SCHEMBL1311206

c1cncc(-c2nc(N3CCOCC3)c3scnc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.60
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GBA1 P04062 1/20 0.55
KDM4E B2RXH2 1/20 0.53
PIK3CG P48736 7/20 0.49
PIK3CD O00329 6/20 0.49
PIK3CB P42338 3/20 0.49
MTOR P42345 9/20 0.48
LRRK2 Q5S007 1/20 0.46
PIK3R1 P27986 1/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3C2B O00750 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
SCHEMBL1309975 0.86 PIK3CA (0.49) PIK3CAALDH1A1HTTSMN1; SMN2PIK3CG
SCHEMBL1311251 0.83 PIK3CA (0.49) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1309850 0.82 PIK3CA (0.59) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1308864 0.81 PIK3CA (0.68) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1311683 0.80 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1309648 0.78 PIK3CD (0.48) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1309577 0.76 PIK3CA (0.60) PIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1310406 0.76 PIK3CA (0.71) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1309592 0.75 MTOR (0.51) PIK3CAPIK3CGPIK3CDMTORPIK3R1
SCHEMBL1311634 0.74 PIK3CA (0.45) 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 PIK3CA 2/4885ALDH1A1 3410/4885HTT 3381/4885

“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.