SCHEMBL1311549

SCHEMBL1311549

O=C(CI)Nc1cccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.58
MTOR P42345 14/20 0.58
PIK3CG P48736 11/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL1309522 0.89 PIK3CA (0.58) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1309531 0.89 PIK3CA (0.58) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1311325 0.87 PIK3CA (0.64) PIK3CAMTORPIK3CG
SCHEMBL1309032 0.82 JAK2 (0.59) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1311701 0.79 SMN1; SMN2 (0.65) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1311329 0.79 PIK3CA (0.57) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL28928004 0.79 MTOR (0.67) PIK3CAMTORPIK3CGMEN1KMT2A
SCHEMBL1311658 0.77 PIK3CA (0.65) PIK3CAMTORPIK3CG
SCHEMBL7999853 0.77 PIK3CA (0.63) PIK3CAMTORPIK3CG
SCHEMBL18193476 0.76 PIK3CA (0.61) PIK3CAMTORPIK3CG

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 4 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

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.