SCHEMBL1309312

SCHEMBL1309312

CN1CCN(Cc2nc3nc(-c4ccc5[nH]ncc5c4)nc(N4CCOCC4)c3o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.52
PIK3CA P42336 9/20 0.49
PIK3CD O00329 2/20 0.46
PIK3CG P48736 2/20 0.46
EGFR P00533 2/20 0.43
MAP4K4 O95819 1/20 0.43
ERBB2 P04626 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1D P48730 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
SLK Q9H2G2 1/20 0.43
PIK3CB P42338 3/20 0.43
ROCK1 Q13464 4/20 0.42
GRIA1 P42261 3/20 0.42
PKN2 Q16513 2/20 0.42
CYP2C9 P11712 1/20 0.42
CACNG2 Q9Y698 1/20 0.42
PKN1 Q16512 1/20 0.42
MAP3K11 Q16584 1/20 0.42
TNIK Q9UKE5 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
SCHEMBL1312406 0.89 PIK3CA (0.49) ROCK2PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1310187 0.85 PIK3CA (0.44) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1310263 0.82 PIK3CA (0.65) PIK3CAPIK3CDPIK3CGMAPK9CSNK1D
SCHEMBL1310487 0.82 ROCK2 (0.51) ROCK2PIK3CAPIK3CDPIK3CGEGFR
SCHEMBL7913783 0.82 PIK3CA (0.50) PIK3CAPIK3CDPIK3CGPIK3CBPARP1
SCHEMBL1311048 0.82 PIK3CA (0.64) PIK3CAPIK3CDPIK3CGPIK3CBDAPK3
SCHEMBL1310382 0.81 PIK3CA (0.54) ROCK2PIK3CAPIK3CDPIK3CGEGFR
SCHEMBL1309827 0.81 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1309034 0.78 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3CBCYP2C9
SCHEMBL1309866 0.76 PIK3CA (0.55) ROCK2PIK3CAPIK3CDPIK3CGEGFR

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 ROCK2 1523/4885PIK3CA 2/4885PIK3CD 3/4885

“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.