SCHEMBL4370965

SCHEMBL4370965

CCOC(=O)c1c(-c2ccc(-c3ccccc3C#N)cc2)c(C#N)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 6/20 0.49
GRIA4 P48058 6/20 0.49
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
ESR2 Q92731 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL4384179 0.84 GRIA4 (0.57) GRIA2GRIA4ESR2EGLN1
SCHEMBL8289780 0.81 GRIA2 (0.52) GRIA2GRIA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL4375364 0.80 GRIA4 (0.61) GRIA2GRIA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL4373283 0.79 GRIA4 (0.60) GRIA2GRIA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL4374024 0.78 GRIA2 (0.77) GRIA2GRIA4KDM4E
SCHEMBL8288391 0.78 GRIA4 (0.59) GRIA2GRIA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL8288360 0.78 GRIA4 (0.59) GRIA2GRIA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL4377898 0.78 GRIA4 (0.59) GRIA2GRIA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL8288396 0.78 GRIA4 (0.59) GRIA2GRIA4KDM4EALDH1A1SMN1; SMN2
SCHEMBL4372501 0.77 GRIA2 (0.64) GRIA2GRIA4CYP2C9

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 9 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
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO 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 GRIA2 17/4885GRIA4 16/4885KDM4E 2620/4885

“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.