SCHEMBL4087590

SCHEMBL4087590

NC(=O)c1sc(-c2cccs2)cc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
KDM4E B2RXH2 6/20 0.68
NPC1 O15118 3/20 0.68
IKBKB O14920 6/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
BTK Q06187 1/20 0.61
CDC7 O00311 1/20 0.58
DBF4 Q9UBU7 1/20 0.58
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
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 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
SCHEMBL9228577 0.87 KDM4E (0.68) MAPTKDM4ENPC1IKBKBCYP1A2
SCHEMBL8864122 0.81 KDM4E (1.00) MAPTKDM4ENPC1IKBKBTUBB4A
SCHEMBL1385872 0.78 IKBKB (0.67) MAPTKDM4ENPC1IKBKBKMT2A
SCHEMBL1682135 0.77 IKBKB (0.61) MAPTKDM4ENPC1IKBKBCDC7
SCHEMBL1847243 0.76 IKBKB (1.00) MAPTKDM4ENPC1IKBKBCYP1A2
SCHEMBL6612134 0.75 IKBKB (0.68) MAPTKDM4ENPC1IKBKBCYP1A2
SCHEMBL6609347 0.75 IKBKB (0.64) MAPTKDM4ENPC1IKBKBCYP1A2
Carbamic Acid SCHEMBL9378352 0.73 KDM4E (0.52) MAPTKDM4ENPC1ALDH1A1MEN1
SCHEMBL612267 0.73 CDC7 (1.00) MAPTKDM4ENPC1IKBKBCYP1A2
SCHEMBL6607677 0.73 CDC7 (0.58) MAPTKDM4ENPC1IKBKBCYP1A2

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-7166639-B2 NF-κB inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-01-23 US claimed
US-20040192943-A1 Nf-kappab inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-30 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
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
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 (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 MAPT 2469/4885KDM4E 652/4885NPC1 1559/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 MAPT 2580/4885KDM4E 1332/4885NPC1 498/4885
US-20040192943-A1 Nf-kappab inhibitors NFKBIA, IKBKB, IKBKG MAPT 1500/4885KDM4E 2149/4885NPC1 2230/4885

“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.