SCHEMBL3401465

SCHEMBL3401465

CN(C)C1CCN(C(=O)c2cc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3s2)C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.76
BCR P11274 8/20 0.76
MKNK1 Q9BUB5 11/20 0.54
MAPK7 Q13164 1/20 0.44

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
SCHEMBL16363332 0.87 MKNK1 (0.61) ABL1BCRMKNK1
SCHEMBL3397346 0.87 ABL1 (1.00) ABL1BCR
SCHEMBL3402594 0.86 ABL1 (0.82) ABL1BCRMAPK7
SCHEMBL18696342 0.84 ABL1 (0.90) ABL1BCR
SCHEMBL3400322 0.84 ABL1 (1.00) ABL1BCRMKNK1
SCHEMBL5464929 0.83 MKNK1 (0.55) ABL1BCRMKNK1
SCHEMBL3401967 0.83 MAPK7 (0.54) ABL1BCRMAPK7
SCHEMBL5472888 0.83 MKNK1 (0.55) ABL1BCRMKNK1
SCHEMBL3397025 0.82 ABL1 (1.00) ABL1BCR
SCHEMBL3399576 0.81 ABL1 (1.00) ABL1BCR

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912973-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2021-11-24 EP claimed
EP-3150593-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2017-04-05 EP claimed
US-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 US claimed
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-05-16 US disclosed
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2024-03-19 US disclosed
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-05 US disclosed
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-05 US disclosed
US-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 US disclosed
US-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 US disclosed
EP-3912973-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2021-11-24 EP disclosed
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-05 US disclosed
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 US disclosed
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 US disclosed
US-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 US disclosed
US-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 US disclosed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 US disclosed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 US disclosed
EP-2222162-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute (US) 2010-09-01 EP disclosed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 WO disclosed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 WO 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 (7 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-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885MKNK1 1915/4885
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885MKNK1 726/4885
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885MKNK1 1986/4885
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885MKNK1 1986/4885
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885MKNK1 1915/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885MKNK1 795/4885
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885MKNK1 2142/4885

“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.