SCHEMBL4812502

SCHEMBL4812502

COc1cc2c(cc1CN[C@H]1CC[C@H](O)CC1)Cc1c(-c3ccc(C#N)cc3)n[nH]c1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00

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
SCHEMBL6221265 1.00 CHEK1 (1.00) CHEK1
SCHEMBL6784156 0.89 CHEK1 (1.00) CHEK1
SCHEMBL4815816 0.83 CHEK1 (1.00) CHEK1
SCHEMBL4812995 0.81 CHEK1 (0.94) CHEK1
SCHEMBL4813007 0.81 CHEK1 (0.94) CHEK1
SCHEMBL4816346 0.81 CHEK1 (0.70) CHEK1
SCHEMBL4812739 0.80 CHEK1 (1.00) CHEK1
SCHEMBL4815703 0.78 CHEK1 (1.00) CHEK1
SCHEMBL4809466 0.76 CHEK1 (0.76) CHEK1
SCHEMBL4814679 0.75 CHEK1 (1.00) 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 73/4885

“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.