SCHEMBL1310331

SCHEMBL1310331

c1cc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.62
MTOR P42345 11/20 0.62
PIK3CG P48736 3/20 0.62
ATR Q13535 2/20 0.57
PIK3R1 P27986 3/20 0.57
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53
CYP2C9 P11712 1/20 0.48

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
SCHEMBL1311008 0.90 PIK3CA (0.58) PIK3CAMTORPIK3CGATRPIK3R1
SCHEMBL8012695 0.88 NPSR1 (0.53) PIK3CAMTORPIK3CGATRPIK3R1
SCHEMBL29434922 0.85 PIK3CA (0.58) PIK3CAMTORPIK3CGATRPIK3R1
SCHEMBL8001162 0.84 PIK3CA (0.51) PIK3CAMTORPIK3CGATRPIK3R1
SCHEMBL1311167 0.81 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL1311242 0.80 PIK3CA (0.59) PIK3CAMTORPIK3CGATRPIK3CB
SCHEMBL1308970 0.80 PIK3CA (0.75) PIK3CAMTORPIK3CGATRPIK3CB
SCHEMBL8003313 0.79 NPSR1 (0.52) PIK3CAMTORPIK3CGATRPIK3R1
SCHEMBL1310232 0.77 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL31061108 0.77 PIK3CA (0.70) PIK3CAMTORPIK3CGATRPIK3CD

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 2 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-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

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 1/4885PIK3CG 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.