SCHEMBL4095895

SCHEMBL4095895

NC(=O)c1cc(-c2ccccn2)sc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.62
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
CDC7 O00311 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GLA P06280 1/20 0.50
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
ADORA1 P30542 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 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
SCHEMBL6611931 0.84 IKBKB (0.46) IKBKBMAPTKDM4ECDC7NPC1
SCHEMBL6611933 0.84 IKBKB (0.46) IKBKBMAPTKDM4ECDC7NPC1
SCHEMBL18357791 0.82 MAPT (0.66) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL4093060 0.81 JAK2 (0.64) IKBKBJAK2JAK3HDAC6MEN1
SCHEMBL3510525 0.77 IKBKB (1.00) IKBKBMAPTRAB9AJAK2JAK3
SCHEMBL8567489 0.76 IKBKB (0.51) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL359879 0.76 KDM4E (0.73) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL5555732 0.75 JAK2 (0.56) IKBKBMAPTKDM4ENPC1RAB9A
SCHEMBL613585 0.74 IKBKB (0.71) IKBKBMAPTCDC7NPC1RAB9A
SCHEMBL3509823 0.74 IKBKB (0.66) IKBKBMAPTRAB9AJAK2JAK3

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 3065/4885MAPT 2469/4885KDM4E 652/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 IKBKB 2413/4885MAPT 2580/4885KDM4E 1332/4885

“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.