SCHEMBL4092080

SCHEMBL4092080

NC(=O)Nc1cc(-c2ccccc2O)sc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.67
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
CHEK1 O14757 3/20 0.43
MAP3K7 O43318 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL6613050 0.89 IKBKB (0.73) IKBKBCHEK1MAP3K7
SCHEMBL1385637 0.84 IKBKB (0.65) IKBKBJAK2CHEK1MAP3K7
SCHEMBL10051836 0.81 IKBKB (0.68) IKBKBJAK2JAK3CHEK1
SCHEMBL1383955 0.81 IKBKB (0.82) IKBKBCHEK1MAP3K7CYP1A2
SCHEMBL1382301 0.80 IKBKB (1.00) IKBKBJAK2JAK3CHEK1CYP1A2
SCHEMBL4086105 0.78 IKBKB (0.78) IKBKBJAK2JAK3CHEK1MAP3K7
SCHEMBL27504382 0.77 MAPT (0.46) IKBKBJAK2JAK3
SCHEMBL1382634 0.77 IKBKB (1.00) IKBKBJAK2JAK3CYP1A2CYP3A4
SCHEMBL5212019 0.77 IKBKB (0.59) IKBKB
SCHEMBL1385872 0.77 IKBKB (0.67) IKBKBJAK2JAK3CHEK1MAP3K7

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-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
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US 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 3065/4885JAK2 79/4885JAK3 436/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 IKBKB 2413/4885JAK2 630/4885JAK3 2135/4885

“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.