SCHEMBL1310329

SCHEMBL1310329

CC1CCCN(c2nccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.46
PIK3R1 P27986 4/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CD O00329 1/20 0.46
PRKDC P78527 1/20 0.46
EIF2AK2 P19525 1/20 0.45
DYRK1A Q13627 3/20 0.43
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43
MTOR P42345 5/20 0.43
ADRA1A P35348 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
LRRK2 Q5S007 1/20 0.41
FLT3 P36888 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL1310410 0.87 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBPIK3CDEIF2AK2
SCHEMBL1309314 0.85 PIK3CA (0.57) PIK3CAPIK3R1PIK3CBPIK3CDEIF2AK2
SCHEMBL1309070 0.84 PIK3CA (0.56) PIK3CAPIK3R1PIK3CBPIK3CDEIF2AK2
SCHEMBL1309279 0.84 PIK3CA (0.61) PIK3CAPIK3R1PIK3CBPIK3CDEIF2AK2
SCHEMBL1310916 0.82 PRKDC (0.43) PIK3CAPIK3R1PIK3CBPIK3CDPRKDC
SCHEMBL18117947 0.80 ALDH1A1 (0.45) PIK3CAPIK3R1PIK3CBPRKDCATR
SCHEMBL1310137 0.80 NPSR1 (0.48) PIK3CAPIK3R1PIK3CBPIK3CDEIF2AK2
SCHEMBL1310118 0.79 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDEIF2AK2
SCHEMBL1309911 0.77 AR (0.46) PIK3CAPIK3R1MTORADRA1A
SCHEMBL1309410 0.77 POLB (0.54) PIK3CAPIK3R1PIK3CBPIK3CDEIF2AK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364302-B1 TRIAZINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIV BASEL (CH) 2016-10-05 EP 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-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 2/4885PIK3R1 21/4885PIK3CB 7/4885

“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.