SCHEMBL22458703

SCHEMBL22458703

NC(=O)COCCOCCNC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.74
BCR P11274 19/20 0.74
KDM4E B2RXH2 1/20 0.68
MAPT P10636 1/20 0.68
MAPK1 P28482 1/20 0.68

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
SCHEMBL16898729 0.92 ABL1 (0.77) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898299 0.92 ABL1 (0.77) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898548 0.92 ABL1 (0.77) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898654 0.91 ABL1 (0.78) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898190 0.91 ABL1 (0.78) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898602 0.91 ABL1 (0.78) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898467 0.89 ABL1 (0.75) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898735 0.89 ABL1 (0.75) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898415 0.89 ABL1 (0.75) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16590721 0.89 ABL1 (0.74) ABL1BCRKDM4EMAPTMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297725-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS YALE UNIVERSITY 2020-09-24 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-20200297725-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS BCR, ABL1, ABL2 ABL1 2/4885BCR 1/4885KDM4E 368/4885

“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.