SCHEMBL20004200

SCHEMBL20004200

COc1ccc2c(c1N=O)C(C)(C)c1[nH]c3cc(Br)ccc3c1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.42
GSK3B P49841 6/20 0.36
CCNB2 O95067 4/20 0.36
CDK1 P06493 4/20 0.36
CCNB1 P14635 4/20 0.36
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
CCNB3 Q8WWL7 4/20 0.36
GSK3A P49840 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1755783 0.90 ALK (0.41) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL16775627 0.85 ALK (0.43) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL20004201 0.85 ALK (0.43) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL897634 0.82 ALK (0.42) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL7807733 0.81 ALK (0.42) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL1755765 0.80 ALK (0.52) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL897744 0.77 ALK (0.50) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL16775676 0.76 ALK (0.47) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL27087566 0.76 ALK (0.47) ALKGSK3BCCNB2CDK1CCNB1
SCHEMBL27087539 0.75 ALK (0.48) ALKGSK3BCCNB2CDK1CCNB1

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 ALK 1/4885GSK3B 666/4885CCNB2 1243/4885

“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.