SCHEMBL3528175

SCHEMBL3528175

C#CC(CC)(CC)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.41
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CTSK P43235 6/20 0.36
CTSS P25774 5/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
APLNR P35414 1/20 0.33

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
SCHEMBL24312282 0.81 L3MBTL1 (0.49) L3MBTL1CA1CA7CA12CA14
SCHEMBL2187338 0.76 NPC1 (0.36) CA1CA7CA12CA14CTSK
SCHEMBL4616898 0.74 CA1 (0.42) L3MBTL1KDM4ECA1CA7CA12
SCHEMBL13888599 0.74 L3MBTL1 (0.56) L3MBTL1RECQLKDM4EHTTMEN1
SCHEMBL29168310 0.73 CA1 (0.39) CA1CA7CA12CA14CTSK
SCHEMBL27636963 0.72 CA1 (0.41) CA1CA7CA12CA14CTSK
SCHEMBL11407139 0.72 L3MBTL1 (0.55) L3MBTL1RECQLKDM4EHTTMEN1
SCHEMBL30053280 0.72 CA1 (0.40) CA1CA7CA12CA14CTSK
SCHEMBL30993122 0.72 CA1 (0.40) CA1CA7CA12CA14CTSK
SCHEMBL5169401 0.72 CTSS (0.37) CA1CA7CTSKCTSSTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US 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 (4 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK L3MBTL1 4181/4885RECQL 2283/4885KDM4E 1041/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK L3MBTL1 4181/4885RECQL 2283/4885KDM4E 1041/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK L3MBTL1 4181/4885RECQL 2283/4885KDM4E 1041/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK L3MBTL1 4181/4885RECQL 2283/4885KDM4E 1041/4885

“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.