SCHEMBL3116038

SCHEMBL3116038

O=C(c1sc2c(ccc(=O)n2-c2c(F)cccc2F)c1Br)N1CCC[C@@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
HRH3 Q9Y5N1 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
PDK2 Q15119 1/20 0.34
POLB P06746 3/20 0.33
RIPK1 Q13546 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
TYK2 P29597 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL3115823 1.00 RAB9A (0.45) RAB9AHRH3SPHK2PDK2POLB
SCHEMBL3119266 0.89 RAB9A (0.45) RAB9AHRH3SPHK2PDK2POLB
SCHEMBL1266849 0.86 HRH3 (0.39) RAB9AHRH3PDK2POLBDPP4
SCHEMBL1267138 0.86 HRH3 (0.39) RAB9AHRH3SPHK2PDK2POLB
SCHEMBL3107145 0.84 RAB9A (0.33) RAB9AHRH3HCRTR1HCRTR2
SCHEMBL1266874 0.83 HRH3 (0.41) RAB9AHRH3SPHK2PDK2POLB
SCHEMBL1265782 0.82 RAB9A (0.38) RAB9AHRH3SPHK2POLBL3MBTL1
SCHEMBL3116932 0.81 RAB9A (0.42) RAB9AHRH3RIPK1TRPV1TYK2
SCHEMBL3120948 0.81 RAB9A (0.42) RAB9AHRH3RIPK1TRPV1TYK2
SCHEMBL3117310 0.80 RAB9A (0.42) RAB9AHRH3RIPK1TRPV1TYK2

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 RAB9A 596/4885HRH3 1649/4885SPHK2 2729/4885

“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.