SCHEMBL1311057

SCHEMBL1311057

Cc1nc(N)ccc1-c1cc(N2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PSMB5 P28074 1/20 0.43
PIK3CA P42336 10/20 0.43
PIK3C3 Q8NEB9 4/20 0.43
HRH4 Q9H3N8 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 2/20 0.41
AKT1 P31749 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3R1 P27986 2/20 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
SCHEMBL28046994 0.85 PIK3CA (0.59) PIK3CAPIK3C3HRH4KMT2AMTOR
SCHEMBL1311972 0.82 PIK3CA (0.53) PIK3CAPIK3C3MTORPIK3R1PIK3CD
SCHEMBL1309988 0.82 CRHBP (0.51) CRHBPCRHR2PIK3CAKMT2ACYP1A2
SCHEMBL1311141 0.81 PIK3CA (0.57) CRHBPCRHR2PIK3CAMTORAKT1
SCHEMBL1309398 0.79 PIK3CA (0.59) CRHBPCRHR2PIK3CAPIK3C3MTOR
SCHEMBL1310373 0.78 ADORA2A (0.49) PIK3CAKMT2AMTORAKT1ALDH1A1
SCHEMBL1310269 0.76 PIK3CA (0.55) PIK3CAMTORAKT1PIK3R1
SCHEMBL29713891 0.75 HRH4 (0.59) CRHBPCRHR2PIK3CAHRH4KMT2A
SCHEMBL3634340 0.75 HRH4 (0.59) CRHBPCRHR2PIK3CAHRH4KMT2A
SCHEMBL1310959 0.73 PIK3CA (0.53) PIK3CAKMT2AMTORAKT1ALDH1A1

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 CRHBP 4023/4885CRHR2 2333/4885PSMB5 2929/4885

“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.