SCHEMBL4371263

SCHEMBL4371263

CCOC(=O)c1c(-c2ccc(-c3sccc3C#N)cc2)c(C#N)c(C(F)(F)F)n1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
GRIA2 P42262 10/20 0.38
GRIA4 P48058 10/20 0.38
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4383667 0.91 KDM4E (0.39) ALDH1A1KDM4EHPGDGRIA2GRIA4
SCHEMBL4375372 0.90 GRIA4 (0.40) ALDH1A1KDM4EHPGDGRIA2GRIA4
SCHEMBL4370222 0.87 AR (0.39) ALDH1A1KDM4EHPGDGRIA2GRIA4
SCHEMBL4373089 0.86 GRIA2 (0.39) ALDH1A1KDM4EHPGDGRIA2GRIA4
SCHEMBL4373225 0.86 GRIA4 (0.47) GRIA2GRIA4
SCHEMBL8288397 0.85 GRIA2 (0.54) ALDH1A1KDM4EHPGDGRIA2GRIA4
SCHEMBL4369475 0.85 FNTA (0.47) ALDH1A1KDM4EHPGDGRIA2GRIA4
SCHEMBL4373299 0.83 GRIA4 (0.56) ALDH1A1KDM4EGRIA2GRIA4LMNA
SCHEMBL4370215 0.80 GRIA4 (0.44) ALDH1A1KDM4EHPGDGRIA2GRIA4
SCHEMBL8289279 0.79 KDM4E (0.44) ALDH1A1KDM4EHPGDFNTAFNTB

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 ALDH1A1 2211/4885KDM4E 2620/4885HPGD 1113/4885

“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.