SCHEMBL2597489

SCHEMBL2597489

CCCC[Sn](CCCC)(CCCC)c1ccnn1CC

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
CTSK P43235 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
SCHEMBL22445327 0.81 CNR2 (0.32)
SCHEMBL1095862 0.80 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL9026536 0.79 HSD11B1 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2390425 0.76 CTSK (0.34) ALDH1A1CTSK
SCHEMBL29556375 0.73 POLB (0.42) CYP2C9CYP2C19ALDH1A1SMN1; SMN2MAPT
SCHEMBL21225188 0.73 PKM (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL15411723 0.71 GRM2 (0.37) CYP19A1
SCHEMBL30991297 0.71 GGPS1 (0.31)
SCHEMBL2279547 0.71 NPC1 (0.39) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2278913 0.71 NPC1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 3 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 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 CCNK 4128/4885CDK12 2622/4885CYP1A2 259/4885

“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.