SCHEMBL5550902

SCHEMBL5550902

NC(=O)Nc1sc(-c2cn[nH]c2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.52
JAK2 O60674 2/20 0.52
JAK3 P52333 1/20 0.52
CHEK1 O14757 15/20 0.48
MAP4K4 O95819 1/20 0.48
MEN1 O00255 1/20 0.47
EIF2AK2 P19525 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
PTPN5 P54829 1/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5554692 0.80 IKBKB (0.56) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5554752 0.78 KDM4E (0.40) CHEK1MEN1KMT2ANPC1RAB9A
SCHEMBL1563740 0.77 IKBKB (0.83) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5556441 0.77 IKBKB (0.57) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5556421 0.77 JAK2 (0.63) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL1563483 0.77 CHEK1 (0.73) CHEK1
SCHEMBL5556395 0.76 JAK2 (0.63) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL1563476 0.76 CHEK1 (0.73) CHEK1
SCHEMBL3074554 0.75 IKBKB (0.62) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL3086954 0.74 IKBKB (0.82) IKBKBJAK2JAK3CHEK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 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 (1 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 IKBKB 581/4885JAK2 1330/4885JAK3 1451/4885

“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.