SCHEMBL4813007

SCHEMBL4813007

COc1cc2c(cc1C(=O)NC1CCC(O)CC1)-c1[nH]nc(-c3ccc(C#N)cc3)c1C2

nearest known ligand 0.94

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.94
SGK1 O00141 1/20 0.55
AURKA O14965 1/20 0.55
CSNK2A2 P19784 1/20 0.55
AKT1 P31749 1/20 0.55
AKT2 P31751 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 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
SCHEMBL4812995 1.00 CHEK1 (0.94) CHEK1SGK1AURKACSNK2A2AKT1
SCHEMBL4815816 0.97 CHEK1 (1.00) CHEK1SGK1AURKACSNK2A2AKT1
SCHEMBL6785768 0.86 CHEK1 (1.00) CHEK1SGK1AURKACSNK2A2AKT1
SCHEMBL6785763 0.86 CHEK1 (1.00) CHEK1SGK1AURKACSNK2A2AKT1
SCHEMBL4811973 0.84 CHEK1 (0.76) CHEK1
SCHEMBL4817741 0.84 CHEK1 (0.77) CHEK1
SCHEMBL6221265 0.81 CHEK1 (1.00) CHEK1
SCHEMBL4812502 0.81 CHEK1 (1.00) CHEK1
SCHEMBL4809466 0.81 CHEK1 (0.76) CHEK1
SCHEMBL4810938 0.80 CHEK1 (0.77) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP claimed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US claimed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO claimed
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 73/4885SGK1 294/4885AURKA 314/4885

“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.