SCHEMBL1428039

SCHEMBL1428039

NC(=O)c1cc(-c2ccc(F)cc2)sc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.71
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
JAK2 O60674 4/20 0.64
EIF2AK2 P19525 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
CHUK O15111 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56

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
SCHEMBL3507771 0.85 IKBKB (0.73) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL5898698 0.83 IKBKB (0.71) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL1428022 0.83 IKBKB (0.71) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL3510525 0.83 IKBKB (1.00) IKBKBMEN1KMT2AJAK2CYP1A2
SCHEMBL7054417 0.81 TUBB4A (0.58) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL5432647 0.81 MAPT (0.74) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL3507692 0.81 IKBKB (0.67) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL3508652 0.81 IKBKB (0.67) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL1684109 0.81 IKBKB (0.67) IKBKBMEN1KMT2AJAK2EIF2AK2
SCHEMBL3508467 0.80 IKBKB (0.71) IKBKBMEN1KMT2AJAK2EIF2AK2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US claimed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP claimed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US claimed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP claimed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO claimed
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
EP-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-8344144-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US disclosed
EP-1569924-A2 NF-KB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004053087-A2 NF-ΚB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP disclosed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US disclosed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP disclosed
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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-20060030596-A1 NF-kappaB inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885MEN1 4412/4885KMT2A 2045/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885MEN1 4191/4885KMT2A 1915/4885

“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.