SCHEMBL4812439

SCHEMBL4812439

CNC(=O)c1ccc2c(c1)-c1[nH]nc(I)c1C2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.65
CRBN Q96SW2 2/20 0.39
SGK1 O00141 2/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
AURKA O14965 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PDGFRB P09619 2/20 0.39
CHEK2 O96017 1/20 0.38
PRKCG P05129 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
PLK1 P53350 1/20 0.36
MAPK14 Q16539 1/20 0.36
EIF2AK1 Q9BQI3 1/20 0.36

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
SCHEMBL4811938 0.84 CHEK1 (0.51) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4808605 0.80 CHEK1 (0.82) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4813135 0.79 CHEK1 (0.80) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4814057 0.79 CHEK1 (1.00) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4814814 0.78 PDGFRB (0.50) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4809861 0.76 CHEK1 (0.52) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4809551 0.76 CHEK1 (0.46) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4809543 0.75 CHEK1 (0.58) CHEK1SGK1AKT1AKT2AKT3
SCHEMBL4812055 0.72 CHEK1 (0.62) CHEK1EIF2AK1
SCHEMBL6999537 0.71 CHEK1 (0.69) CHEK1SGK1AKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CHEK1 73/4885CRBN 1653/4885SGK1 294/4885

“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.