SCHEMBL1311233

SCHEMBL1311233

c1cc2[nH]ncc2cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 8/20 0.52
CLK1 P49759 2/20 0.50
DYRK3 O43781 2/20 0.50
CLK2 P49760 2/20 0.50
GSK3B P49841 2/20 0.50
CDK5 Q00535 2/20 0.50
DYRK1A Q13627 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
CLK3 P49761 1/20 0.50
CDK5R1 Q15078 1/20 0.50
DYRK2 Q92630 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CYP2C9 P11712 1/20 0.48
CACNG2 Q9Y698 1/20 0.48
PIK3CA P42336 5/20 0.48
EGFR P00533 2/20 0.47
MAP4K4 O95819 1/20 0.47
ERBB2 P04626 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1D P48730 1/20 0.47

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
SCHEMBL1311289 0.89 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGCSNK2A1
SCHEMBL1310062 0.84 ROCK2 (0.51) GRIA1DYRK3CLK2GSK3BCDK5
SCHEMBL3085839 0.83 GRIA1 (0.47) GRIA1CLK1DYRK3CLK2GSK3B
SCHEMBL14338801 0.80 PIK3C3 (0.46) GRIA1CLK1DYRK3CLK2GSK3B
SCHEMBL1309993 0.80 PIK3CA (0.57) GRIA1CLK1DYRK3CLK2GSK3B
SCHEMBL1310236 0.80 PIK3CA (0.59) GRIA1CYP2C9PIK3CAPIK3CDPIK3CG
SCHEMBL5412781 0.79 PLK4 (0.56) PIK3CAROCK2MAPK14
SCHEMBL23932260 0.77 DYRK1A (0.55) GRIA1DYRK3GSK3BCDK5DYRK1A
SCHEMBL17678048 0.76 PIK3CA (0.62) GRIA1DYRK3CLK2GSK3BCDK5
SCHEMBL1271196 0.76 MTOR (0.74) GRIA1CYP2C9PIK3CAPIK3CD

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 GRIA1 2113/4885CLK1 877/4885DYRK3 479/4885

“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.