SCHEMBL4369403

SCHEMBL4369403

CCOC(=O)c1c(-c2ccc(-c3ccccc3SC)cc2)c(C#N)c(C)n1C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 14/20 0.63
GRIA2 P42262 12/20 0.63
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4381909 0.91 GRIA4 (0.62) GRIA4GRIA2ALDH1A1L3MBTL1MEN1
SCHEMBL8288392 0.90 GRIA4 (0.61) GRIA4GRIA2ALDH1A1L3MBTL1MEN1
SCHEMBL8289791 0.90 GRIA2 (0.78) GRIA4GRIA2ALDH1A1L3MBTL1
SCHEMBL4376232 0.90 GRIA4 (0.61) GRIA4GRIA2ALDH1A1L3MBTL1MEN1
SCHEMBL4373078 0.88 GRIA4 (0.58) GRIA4GRIA2ALDH1A1L3MBTL1MEN1
SCHEMBL4375364 0.86 GRIA4 (0.61) GRIA4GRIA2ALDH1A1L3MBTL1KMT2A
SCHEMBL13611802 0.86 GRIA4 (0.75) GRIA4GRIA2
SCHEMBL4372491 0.85 GRIA4 (0.61) GRIA4GRIA2ALDH1A1KMT2AKDM4E
SCHEMBL4375140 0.85 GRIA4 (0.55) GRIA4GRIA2ALDH1A1L3MBTL1KDM4E
SCHEMBL4378375 0.85 GRIA4 (0.73) GRIA4GRIA2ALDH1A1L3MBTL1KDM4E

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-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 GRIA4 16/4885GRIA2 17/4885ALDH1A1 2211/4885

“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.