SCHEMBL1311289

SCHEMBL1311289

c1cc2cn[nH]c2cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.55
PIK3CD O00329 1/20 0.54
PIK3CG P48736 1/20 0.54
SYK P43405 9/20 0.53
BTK Q06187 5/20 0.53
FGFR1 P11362 6/20 0.50
FGFR2 P21802 2/20 0.49
FGFR3 P22607 1/20 0.49
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
ROS1 P08922 1/20 0.47
CSNK2A2 P19784 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PTK6 Q13882 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
PDPK1 O15530 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL1311233 0.89 GRIA1 (0.52) PIK3CAPIK3CDPIK3CGCSNK2A1
SCHEMBL1310152 0.84 SYK (0.58) PIK3CAPIK3CDPIK3CGSYKBTK
SCHEMBL1311167 0.80 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGSYKBTK
SCHEMBL18399012 0.80 SYK (0.59) PIK3CAPIK3CDPIK3CGSYKBTK
SCHEMBL29728069 0.80 SYK (0.59) PIK3CAPIK3CDPIK3CGSYKBTK
SCHEMBL19409822 0.76 HRH3 (0.59) PIK3CAPIK3CDPIK3CGFGFR1FGFR2
SCHEMBL17678101 0.76 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGSYKBTK
SCHEMBL1310548 0.75 ATR (0.58) PIK3CAPIK3CDPIK3CG
SCHEMBL13734711 0.75 NT5E (0.58) PIK3CAPIK3CDPIK3CGSYKBTK
SCHEMBL1310236 0.74 PIK3CA (0.59) PIK3CAPIK3CDPIK3CGJAK2PDPK1

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 2/4885PIK3CD 3/4885PIK3CG 16/4885

“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.