SCHEMBL3088342

SCHEMBL3088342

CCS(=O)(=O)N1CCN(c2nc3sc(C(N)=O)c(N)c3c(-c3ccc(C)o3)c2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSP90AB1 P08238 1/20 0.44
LIMK1 P53667 1/20 0.43
EEF2K O00418 9/20 0.42
BRAF P15056 2/20 0.42
IKBKB O14920 4/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RCE1 Q9Y256 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
SCHEMBL3650384 0.89 ALDH1A1 (0.38) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3081937 0.88 EEF2K (0.51) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3089430 0.86 EEF2K (0.51) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL1176409 0.80 MEN1 (0.49) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3092223 0.80 BRAF (0.64) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3654142 0.77 EEF2K (0.39) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3087584 0.76 MAPT (0.52) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL14312146 0.76 EEF2K (0.40) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3088911 0.75 MAPT (0.48) ALDH1A1GAAHPGDMAPTMEN1
SCHEMBL3087819 0.75 EEF2K (0.55) ALDH1A1GAAHPGDMAPTMEN1

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-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed
CN-101827851-A 5-cyano-thienopyridines for the treatment of tumors MERCK PATENT GMBH 2010-09-08 CN claimed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
WO-2009049743-A1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2009-04-23 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-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS TGFBR1, TGFBR2, ACVR1 ALDH1A1 1503/4885GAA 4271/4885HPGD 1214/4885

“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.