SCHEMBL6727738

SCHEMBL6727738

CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.58
KIF11 P52732 1/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
HPGD P15428 4/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KDM1A O60341 1/20 0.47
AR P10275 3/20 0.46
NR3C1 P04150 1/20 0.46
NR3C2 P08235 1/20 0.46
HSD11B1 P28845 2/20 0.46
PLK4 O00444 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 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
SCHEMBL28549758 0.95 CA1 (0.61) PGRKIF11CA1CA2HPGD
SCHEMBL3059775 0.78 HPGD (0.60) PGRKIF11CA1CA2HPGD
SCHEMBL15904380 0.77 HPGD (0.58) PGRKIF11CA1CA2HPGD
SCHEMBL5132601 0.76 PGR (0.74) PGRKIF11HPGDLMNAHTT
SCHEMBL4959361 0.76 CA1 (0.66) PGRKIF11CA1CA2HPGD
SCHEMBL4611472 0.75 PGR (0.51) PGRKIF11HPGDLMNAHTT
SCHEMBL10191890 0.75 HPGD (0.56) PGRKIF11CA1CA2HPGD
SCHEMBL4611480 0.74 PGR (1.00) PGRAR
SCHEMBL4661134 0.72 KIF11 (1.00) KIF11CA1CA2HPGDLMNA
SCHEMBL28452111 0.72 SLC22A12 (0.76)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 PGR 697/4885KIF11 4549/4885CA1 347/4885

“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.