SCHEMBL3277254

SCHEMBL3277254

CCc1nc2ccsc2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.44
ADORA1 P30542 10/20 0.44
PDE4B Q07343 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3278516 0.77 GPR3 (0.53) ADORA2AADORA1SMN1; SMN2HTTRXFP1
SCHEMBL12533981 0.74 KMT2A (0.64) SMN1; SMN2POLBRAD52TDP1ADORA3
SCHEMBL10171315 0.71 ADORA2A (0.58) ADORA2AADORA1PDE4BPDE4APDE4C
SCHEMBL17471783 0.71 ADORA2A (0.49) ADORA2AADORA1PDE4BPDE4APDE4C
SCHEMBL14115005 0.70 ADORA2A (0.49) ADORA2AADORA1PDE4BPDE4APDE4C
SCHEMBL14629321 0.69 KDM4E (0.39) ADORA2AADORA1SMN1; SMN2POLBHTT
SCHEMBL14148695 0.68 KDM4E (0.40) ADORA2AADORA1PDE4BPDE4APDE4C
SCHEMBL13242410 0.68 ADORA2A (0.60) ADORA2AADORA1SMN1; SMN2POLBTDP1
SCHEMBL12055277 0.68 ADORA2A (0.44) ADORA2AADORA1SMN1; SMN2POLBRAD52
SCHEMBL14511639 0.68 ADORA2A (0.54) ADORA2AADORA1PDE4BPDE4APDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696221-B2 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFκB inhibitors WYETH LLC (US) 2010-04-13 US disclosed
US-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors WYETH (US) 2006-07-13 US disclosed
WO-2006069182-A2 THIENOISOQUINOLINE-PHENYLSULFONAMIDES AND THEIR USE AS ER-NFkB INHIBITORS WYETH (US) 2006-06-29 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-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors NFKBIA, IKBKB, IKBKE ADORA2A 3724/4885ADORA1 3361/4885PDE4B 1499/4885

“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.