SCHEMBL1930902

SCHEMBL1930902

NC(=O)Nc1sc(-c2ccc(N3CCCC3)cc2OCCN2CCCCC2)cc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.67
IKBKB O14920 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 1/20 0.43
JAK2 O60674 3/20 0.42
JAK3 P52333 1/20 0.42
EIF2AK2 P19525 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1927323 1.00 CHEK1 (0.67) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1928564 0.95 CHEK1 (0.61) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL2935301 0.88 CHEK1 (0.52) CHEK1MEN1KMT2AKDM4EHTR1A
SCHEMBL2932598 0.88 CHEK1 (0.52) CHEK1MEN1KMT2AKDM4EHTR1A
SCHEMBL1928162 0.86 CHEK1 (0.69) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1929738 0.85 CHEK1 (0.65) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1929584 0.84 CHEK1 (0.59) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL2932580 0.83 CHEK1 (0.47) CHEK1MEN1KMT2AKDM4EMAPT
SCHEMBL4087784 0.81 CHEK1 (1.00) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1928293 0.79 IKBKB (0.57) CHEK1IKBKBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US claimed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US claimed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US claimed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
WO-2008002246-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN IKK2 INHIBITOR AND A SECOND ACTIVE INGRDIENT. ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 CHEK1 3163/4885IKBKB 3173/4885MEN1 1642/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 CHEK1 3264/4885IKBKB 2989/4885MEN1 1990/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 CHEK1 3163/4885IKBKB 3173/4885MEN1 1642/4885

“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.