SCHEMBL1310053

SCHEMBL1310053

Clc1nc(NCc2cccnc2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.72
HTT P42858 1/20 0.62
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.55
PIK3CA P42336 3/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CSNK1D P48730 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACHE P22303 1/20 0.47
PDE5A O76074 1/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CD O00329 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
SCHEMBL1309104 0.90 RAD52 (0.66) RAD52HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL30740027 0.87 RAD52 (0.74) RAD52HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL1658523 0.87 HTT (0.82) RAD52HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL1310145 0.85 HTT (0.64) RAD52HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL11898710 0.82 HTT (0.63) RAD52HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL3558618 0.81 PIK3CA (0.66) RAD52HTTPKMPIK3CACYP1A2
SCHEMBL11898971 0.80 HTT (0.62) RAD52HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL3554877 0.80 PIK3CB (0.57) RAD52HTTPKMPIK3CACYP1A2
SCHEMBL1310247 0.79 PKM (0.76) RAD52HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL14503359 0.79 RAD52 (0.62) RAD52HTTLMNAACHE

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 RAD52 3287/4885HTT 3381/4885LMNA 2709/4885

“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.