SCHEMBL4093729

SCHEMBL4093729

CC(=O)Nc1sc(-c2ccc(C#N)cc2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.44
▸ CDK2AP1 O14519 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ EGLN2 Q96KS0 2/20 0.43
▸ ALOX15 P16050 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39

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
SCHEMBL6610678 0.93 CHEK1 (0.40) CHEK1CDK2AP1DYRK1AHDAC1HDAC6
SCHEMBL6611782 0.88 IKBKB (0.47) CHEK1CDK2AP1HDAC6JAK2MEN1
SCHEMBL4088527 0.73 GAA (0.43) DYRK1AALOX15PIK3CGALDH1A1KDM4E
SCHEMBL5898678 0.72 JAK2 (0.57) CHEK1JAK2
SCHEMBL1382705 0.71 IKBKB (0.69) CHEK1CDK2AP1HDAC6JAK2MEN1
SCHEMBL8351467 0.71 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL13235766 0.71 SMN1; SMN2 (0.70) EGLN2KDM1AALDH1A1IDO1KDM4E
SCHEMBL7057002 0.70 IKBKB (0.53) CHEK1CDK2AP1HDAC6JAK2MEN1
SCHEMBL12963490 0.69 ALDH1A1 (0.59) ALOX15ALDH1A1KDM4ELMNAMAPT
SCHEMBL11172727 0.68 ALDH1A1 (0.49) DYRK1AKDM1APLA2G7ALDH1A1IDO1

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 5 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
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 CHEK1 2784/4885CDK2AP1 1489/4885DYRK1A 922/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 CHEK1 3060/4885CDK2AP1 964/4885DYRK1A 3227/4885

“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.

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