SCHEMBL17561722

SCHEMBL17561722

CC(F)(F)Oc1ccc(NC(=O)c2cnc(N3C[C@@H](O)[C@@H](O)C3)c(-c3cncnc3)c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.87

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
SCHEMBL25735757 0.95 ABL1 (0.79) ABL1
SCHEMBL16860448 0.93 ABL1 (1.00) ABL1
SCHEMBL16864649 0.93 ABL1 (1.00) ABL1
SCHEMBL19904419 0.93 ABL1 (0.90) ABL1
SCHEMBL16860162 0.91 ABL1 (1.00) ABL1
SCHEMBL15393508 0.91 ABL1 (1.00) ABL1
SCHEMBL15393504 0.91 ABL1 (1.00) ABL1
SCHEMBL19904417 0.91 ABL1 (0.87) ABL1
SCHEMBL16860470 0.91 ABL1 (1.00) ABL1
SCHEMBL15393346 0.91 ABL1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — US disclosed
US-9278981-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-03-08 — — 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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 ABL1 31/4885

“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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