SCHEMBL3400784

SCHEMBL3400784

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KDR P35968 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ABL1 P00519 7/20 0.56
BCR P11274 7/20 0.56
TRPV1 Q8NER1 1/20 0.48
FAAH O00519 1/20 0.48
EPHX2 P34913 1/20 0.48
GAA P10253 1/20 0.46
MCHR1 Q99705 1/20 0.45

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
SCHEMBL3402905 0.90 ABL1 (0.55) TP53MAPTKDRSMN1; SMN2ABL1
SCHEMBL3397117 0.85 DHODH (0.50) KDRABL1BCRTRPV1FAAH
SCHEMBL3398663 0.85 ABL1 (0.66) ABL1BCREPHX2
SCHEMBL18696183 0.82 ABL1 (0.51) ABL1BCR
SCHEMBL3970683 0.81 ABL1 (0.59) TP53MAPTKDRSMN1; SMN2ABL1
SCHEMBL18696393 0.80 ABL1 (0.53) ABL1BCR
SCHEMBL17487035 0.80 ABL1 (0.50) TP53MAPTABL1BCR
SCHEMBL25824263 0.79 ABL1 (0.82) MAPTABL1BCR
SCHEMBL29533110 0.79 ABL1 (0.60) TP53MAPTKDRSMN1; SMN2ABL1
SCHEMBL3399921 0.79 ABL1 (0.60) TP53MAPTKDRSMN1; SMN2ABL1

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 47 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 claimed
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-05 US claimed
EP-2222162-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2016-11-16 EP claimed
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 US claimed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 US claimed
EP-2222162-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute (US) 2010-09-01 EP claimed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 WO 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
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 TP53 35/4885MAPT 4737/4885KDR 1223/4885
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 TP53 39/4885MAPT 4367/4885KDR 695/4885
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 TP53 39/4885MAPT 4736/4885KDR 1233/4885
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 TP53 39/4885MAPT 4736/4885KDR 1233/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 TP53 82/4885MAPT 4389/4885KDR 1009/4885
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 TP53 57/4885MAPT 4762/4885KDR 1651/4885

“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.