SCHEMBL30046582

SCHEMBL30046582

CN1C(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cccnc3)c2C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.56
▸ OPRM1 P35372 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52

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
SCHEMBL22938646 1.00 ABL1 (0.56) ABL1OPRM1KCNH2
SCHEMBL28523803 0.90 ABL1 (0.54) ABL1
SCHEMBL22939415 0.85 ABL1 (0.53) ABL1
SCHEMBL30046925 0.85 ABL1 (0.53) ABL1
SCHEMBL22938707 0.84 ABL1 (0.64) ABL1KCNH2
SCHEMBL30046879 0.84 ABL1 (0.64) ABL1KCNH2
SCHEMBL22939418 0.83 ABL1 (0.48) ABL1
SCHEMBL30046805 0.83 ABL1 (0.48) ABL1
SCHEMBL23091734 0.82 ABL1 (0.62) ABL1OPRM1KCNH2
SCHEMBL29687314 0.82 ABL1 (0.62) ABL1OPRM1KCNH2

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-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (HK) 2022-10-20 — — US claimed
US-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (HK) 2022-10-20 — — 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-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ABL1, ABL2, BCR ABL1 1/4885OPRM1 2701/4885KCNH2 2583/4885

“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.

Send feedback