SCHEMBL4086105

SCHEMBL4086105

NC(=O)Nc1cc(-c2ccc(O)cc2)sc1C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.78
PTPN1 P18031 2/20 0.59
MAP3K7 O43318 1/20 0.53
JAK2 O60674 2/20 0.51
JAK3 P52333 1/20 0.51
CHEK1 O14757 1/20 0.49
MEN1 O00255 1/20 0.49
EIF2AK2 P19525 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
BTK Q06187 1/20 0.49
PTPRF P10586 1/20 0.48

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
SCHEMBL1382301 0.88 IKBKB (1.00) IKBKBPTPN1JAK2JAK3CHEK1
SCHEMBL1382634 0.87 IKBKB (1.00) IKBKBPTPN1JAK2JAK3CYP1A2
SCHEMBL1382530 0.87 IKBKB (0.78) IKBKBPTPN1MAP3K7MEN1KMT2A
SCHEMBL1381722 0.87 IKBKB (0.76) IKBKBPTPN1JAK2CHEK1MEN1
SCHEMBL1385004 0.84 IKBKB (1.00) IKBKBPTPN1MAP3K7CHEK1
SCHEMBL3608954 0.84 IKBKB (0.72) IKBKBPTPN1MAP3K7JAK2JAK3
SCHEMBL1382016 0.80 IKBKB (1.00) IKBKBPTPN1MAP3K7JAK2JAK3
SCHEMBL1384269 0.80 PTPRF (0.65) IKBKBPTPN1MAP3K7JAK2JAK3
SCHEMBL1382279 0.79 IKBKB (1.00) IKBKBPTPN1MAP3K7JAK2JAK3
SCHEMBL7052667 0.79 IKBKB (0.78) IKBKBPTPN1JAK2JAK3CHEK1

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-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
CN-1243747-C Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2006-03-01 CN 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
CN-1425012-A Heteroaromatic carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2003-06-18 CN disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT IKBKB 3065/4885PTPN1 1360/4885MAP3K7 3851/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 IKBKB 2413/4885PTPN1 3831/4885MAP3K7 3916/4885

“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.