SCHEMBL1310145

SCHEMBL1310145

Clc1nc(NCc2ccncc2)nc(N2CCOCC2)n1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
ALOX12 P18054 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RAD52 P43351 1/20 0.53
PIK3CA P42336 2/20 0.51
BACE1 P56817 1/20 0.50
CYP11B2 P19099 1/20 0.48
ACHE P22303 1/20 0.48
PDE5A O76074 1/20 0.47
PTGS2 P35354 1/20 0.47
ROCK1 Q13464 1/20 0.46
GBA1 P04062 1/20 0.46

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
SCHEMBL1310300 0.89 MEN1 (0.54) HTTLMNAALDH1A1KDM4EMEN1
SCHEMBL1658523 0.88 HTT (0.82) HTTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL11898971 0.86 HTT (0.62) HTTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL1310053 0.85 RAD52 (0.72) HTTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL11898710 0.81 HTT (0.63) HTTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL1309502 0.79 HTT (0.56) HTTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3560370 0.79 PIK3CA (0.62) HTTKDM4EMAPTALOX12KMT2A
SCHEMBL1309104 0.78 RAD52 (0.66) HTTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL3558706 0.78 PIK3CB (0.59) HTTKDM4EMAPTALOX12PIK3CA
SCHEMBL1308942 0.77 CA12 (0.56) MEN1KMT2ARAD52

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 9 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
EP-2364302-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2011-09-14 EP 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
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 HTT 3381/4885LMNA 2709/4885SMN1; SMN2 2486/4885

“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.