SCHEMBL4374436

SCHEMBL4374436

CCOc1ccccc1-c1ccc(-c2cn(C)nc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.47
GRIA4 P48058 1/20 0.47
PIP4K2A P48426 2/20 0.47
PDE10A Q9Y233 6/20 0.45
PKM P14618 1/20 0.43
PDE3A Q14432 1/20 0.42
PTPRC P08575 1/20 0.42
ALK Q9UM73 1/20 0.40
DHFR P00374 1/20 0.39
GRM2 Q14416 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PDE5A O76074 2/20 0.39
NR3C1 P04150 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL4374866 0.78 ESR2 (0.50) GRIA2GRIA4PDE10ANR3C1ALDH1A1
SCHEMBL4372551 0.77 ALDH1A1 (0.42) ALKDHFRALDH1A1
SCHEMBL4372501 0.75 GRIA2 (0.64) GRIA2GRIA4PIP4K2APDE10A
SCHEMBL4372212 0.75 GRIA2 (0.43) GRIA2GRIA4ALDH1A1
SCHEMBL13863355 0.74 GRIA2 (0.55) GRIA2GRIA4PIP4K2APDE10A
SCHEMBL4374876 0.73 AR (0.42) ALK
SCHEMBL4372547 0.72 BCAT2 (0.49)
SCHEMBL8287626 0.71 GRIA2 (0.43) GRIA2GRIA4PIP4K2APDE10APKM
SCHEMBL6065001 0.71 PIP4K2A (0.43) GRIA2GRIA4PIP4K2APDE10APKM
SCHEMBL27324839 0.70 PTPRC (0.58) PDE10APTPRCDHFRGRM2ALDH1A1

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 16/4885PIP4K2A 956/4885

“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.