SCHEMBL1987192

SCHEMBL1987192

CC1CNCCN1c1cnc(-c2cc(C(N)=O)c(NC(N)=O)s2)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.42
CDK2AP1 O14519 6/20 0.40
IKBKB O14920 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 1/20 0.40
MEN1 O00255 1/20 0.39
EIF2AK2 P19525 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL1928481 0.77 CHEK1 (0.51) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1926589 0.77 CHEK1 (0.54) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1926507 0.76 CHEK1 (0.53) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1929091 0.75 IKBKB (0.44) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1928723 0.74 JAK2 (0.46) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1927898 0.73 MCHR1 (0.41) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1929057 0.73 IKBKB (0.45) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1928283 0.71 JAK2 (0.43) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1928545 0.70 TBK1 (0.43) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL24375329 0.67 ALOX5AP (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 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 (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-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 CHEK1 3163/4885CDK2AP1 1337/4885IKBKB 3173/4885

“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.