SCHEMBL3396834

SCHEMBL3396834

CCOC(=O)C1CCCN(C(=O)c2cc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3n2C)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
ABL1 P00519 9/20 0.46
BCR P11274 9/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ADRB2 P07550 1/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20913066 0.90 ABL1 (0.49) MAPK1ABL1BCR
SCHEMBL3399457 0.90 ABL1 (0.49) ABL1BCR
SCHEMBL16363316 0.90 HSD17B10 (0.56) HSD17B10MAPK1MAPTNPSR1POLB
SCHEMBL3402608 0.86 EPHX2 (0.54) ABL1BCR
SCHEMBL3400487 0.84 HPGD (0.54) MAPTNPSR1POLBHPGDABL1
SCHEMBL3396839 0.82 ABL1 (0.55) ABL1BCRALDH1A1
SCHEMBL3399944 0.81 ABL1 (0.58) HSD17B10ABL1BCRALDH1A1
SCHEMBL3403375 0.81 ABL1 (0.56) ABL1BCR
SCHEMBL13821120 0.81 ABL1 (0.56) ABL1BCR
SCHEMBL18696269 0.81 HSD17B10 (0.47) HSD17B10MAPK1POLBHPGDABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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 (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 HSD17B10 1245/4885MAPK1 1594/4885MAPT 4737/4885
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 HSD17B10 3611/4885MAPK1 829/4885MAPT 4367/4885
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 HSD17B10 1205/4885MAPK1 1398/4885MAPT 4736/4885
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 HSD17B10 1205/4885MAPK1 1398/4885MAPT 4736/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 HSD17B10 2295/4885MAPK1 962/4885MAPT 4389/4885
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 HSD17B10 1563/4885MAPK1 1916/4885MAPT 4762/4885

“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.