SCHEMBL19911115

SCHEMBL19911115

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(-c2ccc3ncccc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 1.00
SRC P12931 3/20 1.00
AXL P30530 2/20 0.92
MAPK14 Q16539 8/20 0.64
MAPK13 O15264 6/20 0.64
MAPK11 Q15759 4/20 0.64
MAPK12 P53778 3/20 0.64
BRAF P15056 6/20 0.63
EPHB4 P54760 2/20 0.63
PTK2 Q05397 2/20 0.63
PTK2B Q14289 2/20 0.63
RAF1 P04049 2/20 0.63
PLK4 O00444 1/20 0.63
ACOX3 O15254 1/20 0.63
MAP3K7 O43318 1/20 0.63
DYRK3 O43781 1/20 0.63
JAK2 O60674 1/20 0.63
ERN1 O75460 1/20 0.63
RPS6KA4 O75676 1/20 0.63
STK10 O94804 1/20 0.63

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
SCHEMBL19911121 0.96 ABL1 (1.00) ABL1SRCAXLMAPK14MAPK13
SCHEMBL12093783 0.90 ABL1 (0.85) ABL1SRCAXLMAPK14MAPK13
SCHEMBL19911110 0.90 ABL1 (1.00) ABL1SRCAXLMAPK14MAPK13
SCHEMBL5055295 0.89 ABL1 (0.83) ABL1SRCAXLMAPK14MAPK13
SCHEMBL5059981 0.88 ABL1 (0.82) ABL1SRCAXLMAPK14MAPK13
SCHEMBL5056300 0.88 ABL1 (0.81) ABL1SRCAXLMAPK14MAPK13
SCHEMBL5055270 0.87 ABL1 (0.80) ABL1SRCAXLMAPK14MAPK13
SCHEMBL2083920 0.86 ABL1 (0.80) ABL1SRCAXLMAPK14MAPK13
SCHEMBL17122426 0.86 ABL1 (0.79) ABL1SRCAXLMAPK14MAPK13
SCHEMBL2083222 0.86 ABL1 (0.79) ABL1SRCAXLMAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196378-B2 Inhibitors of BCR-ABL mutants and use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-05 US disclosed
WO-2018039467-A1 INHIBITORS OF-BCR-ABL MUTANTS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-01 WO disclosed
US-20180057479-A1 Inhibitors of BCR-ABL Mutants and Use Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-01 US disclosed
US-20180057479-A1 Inhibitors of BCR-ABL Mutants and Use Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-01 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 (2 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-20180057479-A1 Inhibitors of BCR-ABL Mutants and Use Thereof ABL1, BCR, ABL2 ABL1 1/4885SRC 15/4885AXL 744/4885
US-10196378-B2 Inhibitors of BCR-ABL mutants and use thereof ABL1, BCR, ABL2 ABL1 1/4885SRC 15/4885AXL 744/4885

“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.