SCHEMBL1310152

SCHEMBL1310152

c1cc2cn[nH]c2cc1-c1cc(N2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.58
BTK Q06187 5/20 0.58
JAK2 O60674 1/20 0.52
NTRK1 P04629 1/20 0.52
ROS1 P08922 1/20 0.52
CSNK2A2 P19784 1/20 0.52
FLT3 P36888 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
PTK6 Q13882 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
PIK3CA P42336 4/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CG P48736 1/20 0.49
PDPK1 O15530 1/20 0.49
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1310062 0.91 ROCK2 (0.51) SYKBTKCSNK2A1PIK3CAPIK3CD
SCHEMBL1311289 0.84 PIK3CA (0.55) SYKBTKJAK2NTRK1ROS1
SCHEMBL18399012 0.80 SYK (0.59) SYKBTKJAK2NTRK1ROS1
SCHEMBL29728069 0.80 SYK (0.59) SYKBTKJAK2NTRK1ROS1
SCHEMBL17678101 0.79 PIK3CA (0.54) SYKBTKJAK2NTRK1ROS1
SCHEMBL1310050 0.78 JAK2 (0.57) JAK2PIK3CAPIK3CDPIK3CGPDPK1
SCHEMBL1309601 0.77 PIK3CA (0.60) PIK3CAPIK3CDPIK3CG
SCHEMBL1311995 0.76 PIK3CA (0.47) SYKBTKJAK2PIK3CAPIK3CD
SCHEMBL13734711 0.75 NT5E (0.58) SYKBTKJAK2NTRK1ROS1
SCHEMBL1311167 0.75 PIK3CA (0.62) SYKBTKPIK3CAPIK3CDPIK3CG

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 SYK 500/4885BTK 226/4885JAK2 177/4885

“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.