SCHEMBL6783261

SCHEMBL6783261

CC(C)(C)CNCc1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.78
KDR P35968 1/20 0.62
SGK1 O00141 1/20 0.55
CHEK2 O96017 1/20 0.55
PRKCG P05129 1/20 0.55
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
MARK2 Q7KZI7 1/20 0.55
AKT3 Q9Y243 1/20 0.55

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
SCHEMBL4813736 0.94 CHEK1 (0.78) CHEK1
SCHEMBL6794435 0.91 CHEK1 (0.74) CHEK1KDRSGK1CHEK2PRKCG
SCHEMBL4815710 0.87 CHEK1 (1.00) CHEK1
SCHEMBL4814833 0.87 CHEK1 (0.70) CHEK1KDR
SCHEMBL4807037 0.87 CHEK1 (0.84) CHEK1
SCHEMBL6194516 0.86 CHEK1 (1.00) CHEK1KDRSGK1CHEK2PRKCG
SCHEMBL6789945 0.85 CHEK1 (0.80) CHEK1KDRSGK1CHEK2PRKCG
SCHEMBL6787230 0.82 CHEK1 (1.00) CHEK1KDRSGK1CHEK2PRKCG
SCHEMBL4815837 0.82 CHEK1 (1.00) CHEK1KDR
SCHEMBL4810532 0.81 CHEK1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US claimed

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 73/4885KDR 1024/4885SGK1 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.