SCHEMBL1928283

SCHEMBL1928283

NC(=O)Nc1sc(-c2ncc(N3CCC(F)(F)C3)cn2)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
IKBKB O14920 3/20 0.43
MEN1 O00255 1/20 0.43
EIF2AK2 P19525 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
JAK3 P52333 1/20 0.42
SYK P43405 4/20 0.41
CHEK1 O14757 12/20 0.41

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
SCHEMBL1929057 0.94 IKBKB (0.45) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1928481 0.84 CHEK1 (0.51) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1926507 0.83 CHEK1 (0.53) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1928723 0.81 JAK2 (0.46) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1926589 0.81 CHEK1 (0.54) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1929091 0.79 IKBKB (0.44) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1927898 0.75 MCHR1 (0.41) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1928545 0.75 TBK1 (0.43) JAK2IKBKBMEN1KMT2AJAK3
SCHEMBL1987192 0.71 CHEK1 (0.42) JAK2IKBKBMEN1EIF2AK2KMT2A
SCHEMBL1929724 0.68 IKBKB (0.55) JAK2IKBKBMEN1EIF2AK2KMT2A

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-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US claimed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO claimed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 JAK2 166/4885IKBKB 3173/4885MEN1 1642/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 JAK2 422/4885IKBKB 2989/4885MEN1 1990/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 JAK2 166/4885IKBKB 3173/4885MEN1 1642/4885

“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.