SCHEMBL4372547

SCHEMBL4372547

Cn1cc(-c2ccc(-c3ccccc3C(N)=O)cc2)c(C#N)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 3/20 0.39
PPARG P37231 4/20 0.39
TGFBR1 P36897 1/20 0.38
DPP4 P27487 1/20 0.38
PARP2 Q9UGN5 1/20 0.37
PIK3CD O00329 1/20 0.37
CHEK1 O14757 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL4372551 0.80 ALDH1A1 (0.42) MAPK1KDM4E
SCHEMBL4374876 0.76 AR (0.42) MAPK1
SCHEMBL26419133 0.76 ADORA2A (0.37) PARP1PARP2JAK2JAK1
SCHEMBL4372212 0.75 GRIA2 (0.43) MAPK1KDM4ETGFBR1ALOX5APFEN1
SCHEMBL28045856 0.74 BCAT2 (0.65) BCAT2KDM4EPARP1PARP2CHEK1
SCHEMBL5878337 0.73 BCAT2 (0.87) BCAT2KDM4EPARP1PPARGCHEK1
SCHEMBL4952744 0.73 BCAT2 (0.62) BCAT2PARP1PARP2CHEK1ALOX5AP
SCHEMBL4374436 0.72 GRIA2 (0.47)
SCHEMBL30582476 0.72 BCAT2 (0.83) BCAT2KDM4EPPARGCHEK1ALOX5AP
SCHEMBL30965134 0.71 PIK3CD (0.59) BCAT2KDM4EPIK3CDALOX5APFEN1

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 5 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
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
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

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 BCAT2 2040/4885MAPK1 1185/4885KDM4E 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.