SCHEMBL1308458

SCHEMBL1308458

Fc1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2cc[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.59
PIK3CA P42336 5/20 0.52
MTOR P42345 4/20 0.52
CHEK1 O14757 1/20 0.51
PDCD1 Q15116 1/20 0.51
ATRIP Q8WXE1 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
PIK3R1 P27986 3/20 0.48
PRKDC P78527 1/20 0.48
PIK3CD O00329 2/20 0.48
CYP3A4 P08684 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
SCHEMBL1311724 0.85 PIK3CA (0.56) ATRPIK3CAMTORATRIPPIK3R1
SCHEMBL1311095 0.82 CSNK1D (0.47) ATRPIK3CAMTORCHEK1PDCD1
SCHEMBL1309852 0.81 PIK3CA (0.46) ATRPIK3CAMTORPIK3CDCYP3A4
SCHEMBL1309409 0.81 PIK3CA (0.70) ATRPIK3CAMTORPIK3R1PRKDC
SCHEMBL1310876 0.81 PIK3CA (0.53) ATRPIK3CAMTORCHEK1PDCD1
SCHEMBL1311145 0.80 PIK3CA (0.53) ATRPIK3CAMTORCHEK1PDCD1
SCHEMBL1308679 0.79 PIK3CA (0.56) ATRPIK3CAMTOR
SCHEMBL1310153 0.79 PIK3CD (0.57) ATRPIK3CAPIK3CDCYP3A4
SCHEMBL1026280 0.78 NPSR1 (0.59) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL1309842 0.77 PIK3CD (0.59) PIK3CAMTORPIK3R1PRKDCPIK3CD

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 ATR 1107/4885PIK3CA 2/4885MTOR 1/4885

“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.