SCHEMBL3136779

SCHEMBL3136779

CCc1sc(C(=O)/N=C/N(C)C)c(-c2ccc(C(C)(C)C)cc2)c1C#N

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 13/20 0.68
GRIA2 P42262 7/20 0.68
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
POLB P06746 1/20 0.33
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
MAPT P10636 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
SCHEMBL3136787 1.00 GRIA4 (0.68) GRIA4GRIA2NPC1ALDH1A1GAA
SCHEMBL3134036 0.81 GRIA4 (1.00) GRIA4GRIA2FNTAFNTB
SCHEMBL3139160 0.80 GRIA4 (0.80) GRIA4GRIA2ALDH1A1MAPT
SCHEMBL3136784 0.78 GRIA4 (0.69) GRIA4GRIA2ALDH1A1SMN1; SMN2PLA2G1B
SCHEMBL3137856 0.78 GRIA4 (0.75) GRIA4GRIA2ALDH1A1FNTAFNTB
SCHEMBL8282826 0.72 GRIA4 (0.82) GRIA4GRIA2FNTAFNTB
SCHEMBL5728897 0.68 GRIA4 (0.75) GRIA4GRIA2PLA2G1BATG4BFNTA
SCHEMBL5728066 0.67 GRIA4 (0.73) GRIA4GRIA2FNTAFNTB
SCHEMBL28608782 0.66 PIK3CA (0.55) GRIA4GRIA2
SCHEMBL28608785 0.66 PIK3CA (0.55) GRIA4GRIA2

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-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 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-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT GRIA4 15/4885GRIA2 57/4885NPC1 1271/4885

“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.