SCHEMBL1370205

SCHEMBL1370205

CC(C)C(C)N(C(=O)OC(C)(C)C)c1ncc(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.49
FFAR2 O15552 1/20 0.34
PAX8 Q06710 1/20 0.33
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FPR3 P25089 2/20 0.31
FPR2 P25090 2/20 0.31
PDPK1 O15530 1/20 0.31
TRPA1 O75762 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
SCHEMBL123047 0.89 USP30 (0.60) USP30FFAR2PAX8SSTR4ALDH1A1
SCHEMBL20468298 0.80 USP30 (0.43) USP30FFAR2PAX8SSTR4ALDH1A1
SCHEMBL12715430 0.79 PAX8 (0.41) USP30FFAR2PAX8SSTR4ALDH1A1
SCHEMBL27739666 0.78 USP30 (0.39) USP30FFAR2PAX8SSTR4ALDH1A1
SCHEMBL23451253 0.77 USP30 (0.39) USP30FFAR2PAX8SSTR4ALDH1A1
SCHEMBL16529805 0.76 MLYCD (0.40) USP30PAX8SSTR4ALDH1A1FPR3
SCHEMBL16119592 0.74 USP30 (0.38) USP30PAX8SSTR4ALDH1A1FPR3
SCHEMBL16513226 0.74 MLYCD (0.38) USP30PAX8SSTR4ALDH1A1FPR3
SCHEMBL4969320 0.72 USP30 (0.38) USP30FFAR2PDPK1TRPA1
SCHEMBL1428351 0.71 USP30 (0.37) USP30FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300466-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
EP-2307411-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-01-01 EP disclosed
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-8338604-B2 Imidazopyridine and imidazopyrazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-25 US disclosed
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 US disclosed
EP-2307411-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-04-13 EP disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
EP-2300466-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-30 EP disclosed
WO-2009155389-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 WO disclosed
WO-2009155388-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 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 (2 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-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors MAP3K1, MAP3K5, MAP3K8 USP30 4162/4885FFAR2 1674/4885PAX8 4812/4885
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAPKAPK2, MAP3K5 USP30 3219/4885FFAR2 2172/4885PAX8 4838/4885

“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.