SCHEMBL29533352

SCHEMBL29533352

CN(CCO)C(=O)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.49
BCR P11274 13/20 0.49
PRMT1 Q99873 1/20 0.49
SUV39H1 O43463 1/20 0.48
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
CSF1R P07333 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 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
SCHEMBL13821504 1.00 ABL1 (0.49) ABL1BCRPRMT1SUV39H1TTBK1
SCHEMBL3402222 0.91 PRMT1 (0.50) ABL1BCRPRMT1SUV39H1TTBK1
SCHEMBL3400304 0.86 ABL1 (0.52) ABL1BCRSUV39H1TTBK1TTBK2
SCHEMBL16363351 0.85 PRMT1 (0.54) PRMT1SUV39H1CSF1RAURKAAURKB
SCHEMBL3396560 0.83 ABL1 (0.62) ABL1BCRTTBK1TTBK2CSF1R
SCHEMBL3397381 0.82 ABL1 (0.55) ABL1BCRTTBK1TTBK2CSF1R
SCHEMBL3399921 0.82 ABL1 (0.60) ABL1BCRPRMT1SUV39H1MEN1
SCHEMBL29533110 0.82 ABL1 (0.60) ABL1BCRPRMT1SUV39H1MEN1
SCHEMBL3397889 0.81 ABL1 (0.59) ABL1BCRPRMT1SUV39H1TTBK1
SCHEMBL23637040 0.81 ABL1 (0.46) ABL1BCRPRMT1SUV39H1TTBK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2024-03-19 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885PRMT1 569/4885
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885PRMT1 569/4885
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885PRMT1 769/4885

“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.