SCHEMBL1310002

SCHEMBL1310002

c1nc2cc(-c3cc(N4CCOCC4)nc(N4CCOCC4)c3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.50
MTOR P42345 3/20 0.50
HTT P42858 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
MAP3K11 Q16584 1/20 0.42
PDPK1 O15530 1/20 0.42
CNR2 P34972 2/20 0.41
GRIA1 P42261 1/20 0.41
PIK3CG P48736 1/20 0.41
LRRK2 Q5S007 4/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATR Q13535 1/20 0.40
TDO2 P48775 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1311995 0.85 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBMAP3K11
SCHEMBL1310232 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1310236 0.78 PIK3CA (0.59) PIK3CAMTORHTTPIK3CDPIK3CB
SCHEMBL23122757 0.77 PIK3CD (0.66) PIK3CAHTTPIK3CDPIK3CBMAP3K11
SCHEMBL29745276 0.77 PIK3CD (0.66) PIK3CAHTTPIK3CDPIK3CBMAP3K11
SCHEMBL1270798 0.77 MTOR (0.86) PIK3CAMTORPIK3CDCYP2C9ATR
SCHEMBL4559254 0.75 PRKDC (0.42) PIK3CAMTORPIK3CDPIK3CBMAP3K11
SCHEMBL4559248 0.75 PIK3CA (0.43) PIK3CAMTORHTTPIK3CDPIK3CB
SCHEMBL1311233 0.75 GRIA1 (0.52) PIK3CAPIK3CDGRIA1PIK3CGMAPK1
SCHEMBL1312084 0.74 ATR (0.58) PIK3CAMTORHTTPIK3CDPIK3CB

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 PIK3CA 2/4885MTOR 1/4885HTT 3381/4885

“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.