SCHEMBL3397117

SCHEMBL3397117

Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
ABL1 P00519 7/20 0.49
BCR P11274 6/20 0.49
TRPV1 Q8NER1 1/20 0.49
FAAH O00519 1/20 0.48
EPHX2 P34913 1/20 0.48
F9 P00740 1/20 0.46
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL3403039 0.88 ABL1 (0.56) DHODHABL1BCRTTBK1TTBK2
SCHEMBL3402884 0.86 ABL1 (0.51) DHODHABL1BCREPHX2TTBK1
SCHEMBL18696393 0.86 ABL1 (0.53) DHODHABL1BCRF9TTBK1
SCHEMBL3400784 0.85 TP53 (0.56) ABL1BCRTRPV1FAAHEPHX2
SCHEMBL23637017 0.83 ABL1 (0.48) DHODHABL1BCRTRPV1TTBK1
SCHEMBL18696183 0.83 ABL1 (0.51) ABL1BCRF9TTBK1TTBK2
SCHEMBL17487035 0.83 ABL1 (0.50) DHODHABL1BCRF9TTBK1
SCHEMBL12943130 0.83 ABL1 (0.57) DHODHABL1BCRTTBK1TTBK2
SCHEMBL3402905 0.83 ABL1 (0.55) ABL1BCRTRPV1KDR
SCHEMBL3401859 0.83 ABL1 (0.52) DHODHABL1BCRTTBK1TTBK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3536687-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2021-07-14 EP disclosed
EP-3536687-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2021-07-14 EP 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-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
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 (6 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 DHODH 2768/4885ABL1 2/4885BCR 1/4885
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 DHODH 1668/4885ABL1 2/4885BCR 1/4885
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 DHODH 2778/4885ABL1 2/4885BCR 1/4885
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 DHODH 2778/4885ABL1 2/4885BCR 1/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 DHODH 2667/4885ABL1 2/4885BCR 1/4885
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 DHODH 3194/4885ABL1 2/4885BCR 1/4885

“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.