SCHEMBL924853

SCHEMBL924853

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

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.82
BCR P11274 19/20 0.82
KDM4E B2RXH2 1/20 0.82
MAPT P10636 1/20 0.82
MAPK1 P28482 1/20 0.82

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
SCHEMBL16906995 0.92 ABL1 (0.73) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL10013582 0.90 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL29438984 0.90 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL925002 0.90 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL29936260 0.90 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3904982 0.89 ABL1 (0.82) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL13771172 0.89 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL25639124 0.87 ABL1 (0.82) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3450466 0.86 ABL1 (0.79) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16898350 0.85 ABL1 (0.82) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198055-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS YALE UNIVERSITY (US) 2020-10-01 WO disclosed
US-20200297725-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS YALE UNIVERSITY 2020-09-24 US disclosed
US-20200297725-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS YALE UNIVERSITY 2020-09-24 US disclosed
WO-2018066545-A1 HETEROCYCLIC COMPOUND 公益財団法人ヒューマンサイエンス振興財団 2018-04-12 WO disclosed
US-20160031826-A1 Substituted Heterocyclic Compounds for Treating or Preventing Viral Infections PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-02-04 US disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
WO-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME COFERON,INC. (US) 2015-07-16 WO disclosed
WO-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME COFERON,INC. (US) 2015-07-16 WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2011-01-27 US disclosed
EP-2229217-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2010-09-22 EP disclosed
WO-2009091476-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2009-07-23 WO disclosed
US-7125997-B2 Differential tumor cytotoxicity compounds and compositions IRM LLC (BM) 2006-10-24 US disclosed
WO-2004058713-A1 DIFFERENTIAL TUMOR CYTOTOXOCITY COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-07-15 WO disclosed
US-20040132786-A1 Differential tumor cytotoxicity compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2004-07-08 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 (4 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-20040132786-A1 Differential tumor cytotoxicity compounds and compositions MIF, FOXM1, MYADM ABL1 1482/4885BCR 3068/4885KDM4E 4087/4885
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS ABL1, BCR, MCL1 ABL1 1/4885BCR 2/4885KDM4E 826/4885
US-20200297725-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS BCR, ABL1, ABL2 ABL1 2/4885BCR 1/4885KDM4E 368/4885
US-20160031826-A1 Substituted Heterocyclic Compounds for Treating or Preventing Viral Infections HAVCR2, DDX5, DPYD ABL1 858/4885BCR 2508/4885KDM4E 3342/4885

“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.