SCHEMBL28525985

SCHEMBL28525985

CC1(C)CNc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.63
▸ BCR P11274 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ CRBN Q96SW2 1/20 0.58

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
SCHEMBL28518635 0.86 ABL1 (0.61) ABL1
SCHEMBL28525034 0.85 ABL1 (0.64) ABL1
SCHEMBL28532757 0.83 ABL1 (0.62) ABL1
SCHEMBL22938707 0.83 ABL1 (0.64) ABL1BCRKCNH2CRBN
SCHEMBL30046879 0.83 ABL1 (0.64) ABL1BCRKCNH2CRBN
SCHEMBL22938735 0.82 ABL1 (0.61) ABL1
SCHEMBL28525030 0.82 ABL1 (0.54) ABL1
SCHEMBL28534208 0.82 ABL1 (0.61) ABL1
SCHEMBL30046930 0.82 ABL1 (0.60) ABL1
SCHEMBL30046510 0.82 ABL1 (0.60) ABL1

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
US-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (HK) 2022-10-20 — — US claimed
CN-112300129-B Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-09-14 — — CN claimed
US-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (HK) 2022-10-20 — — US disclosed
CN-112300129-B Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-09-14 — — CN disclosed
CN-112300129-A Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-02-02 — — CN 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 1/4885BCR 3/4885KCNH2 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.

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