SCHEMBL20004253

SCHEMBL20004253

C/N=C\c1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC)c(Br)cc1C3

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
ALK Q9UM73 2/20 0.32

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
SCHEMBL21443222 0.82 ALK (0.48) ALK
SCHEMBL21443149 0.82 CHEK1 (0.34) CA1CA2CA4CA6ALK
SCHEMBL897953 0.82 ALK (0.49) ALK
SCHEMBL20004786 0.75 ALK (0.44) ALK
SCHEMBL897992 0.73 CDK4 (0.40) CA1CA2CA4CA6ALK
SCHEMBL29962609 0.73 CDK4 (0.40) CA1CA2CA4CA6ALK
SCHEMBL20004751 0.71 CA1 (0.41) CA1CA2CA4CA6ALK
SCHEMBL897744 0.71 ALK (0.50) CA1CA2CA4CA6ALK
SCHEMBL21443127 0.68 ALK (0.49) ALK
SCHEMBL20366603 0.68 ALK (0.47) ALK

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-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 CA1 50/4885CA2 291/4885CA4 254/4885

“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.