SCHEMBL4808045

SCHEMBL4808045

CC(C)(C)CNCc1ccc2c(c1)-c1[nH]nc(I)c1C2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.55
EIF2AK1 Q9BQI3 6/20 0.42
KDR P35968 2/20 0.40
KIT P10721 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
TEK Q02763 1/20 0.38

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
SCHEMBL4812918 0.93 CHEK1 (0.63) CHEK1
SCHEMBL4809204 0.82 CHEK1 (0.67) CHEK1EIF2AK1KDRKITFLT1
SCHEMBL4813736 0.80 CHEK1 (0.78) CHEK1
SCHEMBL4812055 0.77 CHEK1 (0.62) CHEK1EIF2AK1KDRKITFLT1
SCHEMBL6783261 0.73 CHEK1 (0.78) CHEK1KDR
SCHEMBL14279024 0.72 CHEK1 (0.46) CHEK1EIF2AK1KDR
SCHEMBL6243766 0.72 CHEK1 (0.57) CHEK1KDR
SCHEMBL4807037 0.71 CHEK1 (0.84) CHEK1
SCHEMBL4816888 0.70 CHEK1 (0.55) CHEK1KDRKITFLT1FLT4
SCHEMBL4807943 0.70 CHEK1 (0.71) CHEK1

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 73/4885EIF2AK1 900/4885KDR 1024/4885

“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.