SCHEMBL3128205

SCHEMBL3128205

CCc1sc(C(N)=O)c(-c2ccc(-c3nccs3)cc2)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.51
GRIA2 P42262 1/20 0.51
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
CHEK2 O96017 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PIK3CA P42336 1/20 0.38
BRAF P15056 1/20 0.37
MYC P01106 1/20 0.36
ESR1 P03372 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL3131099 0.90 GRIA4 (0.64) GRIA4GRIA2ADRB2ESR1
SCHEMBL3142449 0.86 FNTA (0.49) GRIA4GRIA2ALDH1A1
SCHEMBL8281935 0.83 GRIA4 (0.48) GRIA4GRIA2ALDH1A1ADRB2CTSL
SCHEMBL5732201 0.80 GRIA4 (0.50) GRIA4GRIA2HSP90AB1ALDH1A1NPSR1
SCHEMBL8283352 0.79 GRIA2 (0.41) GRIA4GRIA2ADRB2LOXL2CTSL
SCHEMBL3139160 0.78 GRIA4 (0.80) GRIA4GRIA2HSP90AB1ALDH1A1NPSR1
SCHEMBL3128645 0.76 GRIA4 (0.54) GRIA4GRIA2HSP90AB1ALDH1A1NPSR1
SCHEMBL3128218 0.75 GRIA4 (0.57) GRIA4GRIA2HSP90AB1ALDH1A1NPSR1
SCHEMBL3128857 0.75 GRIA4 (0.52) GRIA4GRIA2HSP90AB1ALDH1A1NPSR1
SCHEMBL8281925 0.75 GRIA4 (0.70) 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 9 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-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
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 57/4885HSP90AB1 3798/4885

“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.