SCHEMBL4558565

SCHEMBL4558565

CCOC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)c(C#N)cn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GPR55 Q9Y2T6 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 5/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
MAP2K1 Q02750 3/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8287323 0.93 GRIA2 (0.46) MEN1KMT2AGPR55L3MBTL1NPSR1
SCHEMBL4540892 0.93 GPR55 (0.43) MEN1KMT2AGPR55L3MBTL1NPSR1
SCHEMBL8289330 0.90 KDM4E (0.48) MEN1KMT2AGPR55L3MBTL1KDM4E
SCHEMBL4373016 0.90 MAP2K1 (0.50) MEN1KMT2AGPR55L3MBTL1NPSR1
SCHEMBL4470142 0.90 KDM4E (0.45) MEN1KMT2AGPR55L3MBTL1NPSR1
SCHEMBL13611594 0.86 KDM4E (0.42) MEN1KMT2AGPR55L3MBTL1NPSR1
SCHEMBL6065449 0.85 AR (0.51) MEN1KMT2AGAAMAPT
SCHEMBL8289606 0.85 GRIA4 (0.47) MEN1KMT2AGPR55L3MBTL1NPSR1
SCHEMBL4562563 0.85 HRH2 (0.42) MEN1KMT2AGPR55L3MBTL1NPSR1
SCHEMBL8287319 0.84 KDM4E (0.41) MEN1KMT2AGPR55L3MBTL1NPSR1

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 MEN1 4720/4885KMT2A 3400/4885GPR55 99/4885

“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.