SCHEMBL1310487

SCHEMBL1310487

CN1CCN(Cc2ccc3c(n2)oc2c(N4CCOCC4)nc(-c4ccc5[nH]ncc5c4)nc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.51
PIK3CA P42336 16/20 0.50
PIK3CG P48736 5/20 0.50
PIK3CD O00329 5/20 0.50
PIK3CB P42338 4/20 0.50
PIK3R1 P27986 2/20 0.44
MTOR P42345 2/20 0.44
PIK3C2B O00750 2/20 0.44
PIK3C2A O00443 1/20 0.44
CHUK O15111 1/20 0.44
DAPK3 O43293 1/20 0.44
PIK3C2G O75747 1/20 0.44
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
CSNK2A2 P19784 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
FLT3 P36888 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 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
SCHEMBL1310944 0.93 PIK3CA (0.54) ROCK2PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1309930 0.89 PIK3CA (0.56) PIK3CAPIK3CGPIK3CDPIK3CBPIK3R1
SCHEMBL1309406 0.85 PIK3CA (0.61) PIK3CAPIK3CGPIK3CDPIK3CBPIK3R1
SCHEMBL1310791 0.84 PIK3CA (0.51) PIK3CAPIK3CGPIK3CDPIK3CBPIK3R1
SCHEMBL1308443 0.82 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBPIK3R1
SCHEMBL1309312 0.82 ROCK2 (0.52) ROCK2PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1309350 0.81 PIK3CA (0.68) PIK3CAPIK3CGPIK3CDPIK3CBPIK3R1
SCHEMBL1310077 0.78 LMNA (0.55) ROCK2PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1310528 0.78 PIK3CD (0.74) PIK3CAPIK3CGPIK3CDPIK3CBMTOR
SCHEMBL1311592 0.78 PIK3CD (0.60) PIK3CAPIK3CGPIK3CDPIK3CB

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 2/4885PIK3CG 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.