SCHEMBL1636286

SCHEMBL1636286

Nc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.74
MBTD1 Q05BQ5 1/20 0.74
SIGMAR1 Q99720 6/20 0.61
KMT2A Q03164 1/20 0.58
HTR7 P34969 2/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
SFRP1 Q8N474 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CCR1 P32246 1/20 0.52

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
SCHEMBL4770184 0.99 L3MBTL1 (0.72) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL5438202 0.91 SIGMAR1 (0.73) L3MBTL1MBTD1SIGMAR1KMT2ACYP3A4
SCHEMBL4769081 0.90 SIGMAR1 (0.74) L3MBTL1MBTD1SIGMAR1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL10853327 0.90 SIGMAR1 (0.71) L3MBTL1MBTD1SIGMAR1KMT2ACYP3A4
SCHEMBL3322160 0.88 L3MBTL1 (0.74) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL9885409 0.87 KMT2A (0.76) L3MBTL1MBTD1KMT2ACYP3A4CYP2D6
SCHEMBL3327029 0.87 L3MBTL1 (0.72) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL23682795 0.85 L3MBTL1 (1.00) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL10854490 0.85 SIGMAR1 (0.83) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL6034608 0.85 SIGMAR1 (0.83) L3MBTL1MBTD1SIGMAR1KMT2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2543376-A1 Benzotriazine inhibitors of kinases Targegen, Inc. (US) 2013-01-09 EP disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 L3MBTL1 2418/4885MBTD1 2253/4885SIGMAR1 4539/4885

“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.