SCHEMBL4372212

SCHEMBL4372212

CSc1ccccc1-c1ccc(-c2cn(C)nc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BRD4 O60885 1/20 0.34
IDO1 P14902 1/20 0.33

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 0.81 ESR2 (0.50) GRIA2GRIA4ALDH1A1KDM4EHPGD
SCHEMBL4372551 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL4374876 0.76 AR (0.42) KMT2AMAPK1L3MBTL1BRD4MAPK14
SCHEMBL4374436 0.75 GRIA2 (0.47) GRIA2GRIA4ALDH1A1
SCHEMBL4372547 0.75 BCAT2 (0.49) KDM4EMAPK1ALOX5APFEN1TGFBR1
SCHEMBL4377148 0.73 GRIA4 (0.60) GRIA2GRIA4ALDH1A1KDM4ERAB9A
SCHEMBL8288509 0.70 ALOX5AP (0.42) GRIA2GRIA4SMN1; SMN2LMNAMAPK1
SCHEMBL17795210 0.68 MAPK1 (0.42) LMNAMAPK1BRD4NISCHMAPK14
SCHEMBL30478007 0.67 ALDH1A1 (0.58) GRIA2GRIA4ALDH1A1KDM4ERAB9A
SCHEMBL7411224 0.67 ALDH1A1 (0.58) GRIA2GRIA4ALDH1A1KDM4ERAB9A

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 16/4885ALDH1A1 2211/4885

“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.