SCHEMBL3114684

SCHEMBL3114684

O=C(c1sc2c(ccc(=O)n2-c2c(F)cccc2F)c1Nc1cccc(CO)n1)N1CC[C@@H](OC2CCCCO2)C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
MAPK14 Q16539 1/20 0.30
JAK2 O60674 1/20 0.30
KCNH2 Q12809 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL3111170 0.92 MAPK14 (0.31) MAPK14
SCHEMBL3119013 0.84 TYK2 (0.36) CDK5CDK5R1JAK2KCNH2
SCHEMBL3113114 0.83 MAPK14 (0.33) MAPK14
SCHEMBL3113159 0.83 MAPK14 (0.33) MAPK14
SCHEMBL3113599 0.83 MAPK14 (0.33) MAPK14
SCHEMBL1267319 0.78 MAPK14 (0.32) MAPK14KCNH2
SCHEMBL1266485 0.78 MAPK14 (0.32) MAPK14KCNH2
SCHEMBL3124399 0.77 RAB9A (0.32)
SCHEMBL3835719 0.76 MAPT (0.32)
SCHEMBL3835724 0.76 MAPT (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-15 US claimed
US-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-15 US disclosed
EP-2099805-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB Pharma S.A. (BE) 2009-09-16 EP disclosed
WO-2008064829-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-05 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-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof AASDHPPT, PTMS, TPMT CDK5 1146/4885CDK5R1 1064/4885MAPK14 3742/4885

“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.