SCHEMBL4088798

SCHEMBL4088798

NC(=O)Nc1sc(-c2ccc(C(F)(F)F)cn2)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.52
IKBKB O14920 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
EIF2AK2 P19525 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CHEK1 O14757 10/20 0.52
JAK3 P52333 1/20 0.51
CDK2AP1 O14519 1/20 0.44

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
SCHEMBL4092638 0.81 IKBKB (0.54) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL4087748 0.81 IKBKB (0.73) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL7053485 0.77 JAK2 (0.73) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL4093060 0.76 JAK2 (0.64) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL3509548 0.73 JAK2 (0.74) JAK2IKBKBJAK3
SCHEMBL6512284 0.73 CHEK1 (0.47) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL5898694 0.72 JAK2 (0.62) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL1682900 0.71 IKBKB (0.69) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL27502603 0.70 IKBKB (0.52) JAK2IKBKBKMT2AMEN1EIF2AK2
SCHEMBL5099664 0.70 IKBKB (0.64) IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US claimed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP claimed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US claimed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 US disclosed
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 WO disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT JAK2 79/4885IKBKB 3065/4885KMT2A 1270/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 JAK2 630/4885IKBKB 2413/4885KMT2A 864/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB JAK2 315/4885IKBKB 3/4885KMT2A 2376/4885

“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.