SCHEMBL2597409

SCHEMBL2597409

CC(=O)N(n1c(=O)[nH]c2cc(C(C)C)c(-c3ccnn3C)cc2c1=O)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.32
AKT1 P31749 1/20 0.32
IDH1 O75874 2/20 0.31
BRD4 O60885 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
IMPDH2 P12268 1/20 0.30

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
SCHEMBL2597209 0.92 HAVCR2 (0.32) HAVCR2AKT1IDH1BRD4HSP90AA1
SCHEMBL2597448 0.90 HAVCR2 (0.31) HAVCR2AKT1IMPDH2
SCHEMBL2597192 0.90 HAVCR2 (0.31) HAVCR2AKT1
SCHEMBL2597174 0.90 IMPDH2 (0.33) HAVCR2AKT1IDH1BRD4IMPDH2
SCHEMBL2597128 0.90 IMPDH2 (0.32) IMPDH2
SCHEMBL2599399 0.89 HAVCR2 (0.31) HAVCR2AKT1IMPDH2
SCHEMBL2597262 0.89 KDM4E (0.32) HAVCR2AKT1IDH1IMPDH2
SCHEMBL2597226 0.89 IMPDH2 (0.31) IMPDH2
SCHEMBL2597238 0.88 HAVCR2 (0.32) HAVCR2IMPDH2
SCHEMBL2597408 0.87

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-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 EP claimed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US claimed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 WO claimed
EP-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 EP disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US disclosed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 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-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES GRIK2, GRIK1, GRIK4 HAVCR2 4470/4885AKT1 3449/4885IDH1 412/4885

“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.