SCHEMBL20033385

SCHEMBL20033385

BNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.89
▸ ABL1 P00519 7/20 0.89
▸ BRAF P15056 7/20 0.89
▸ SRC P12931 3/20 0.89
▸ RIPK1 Q13546 2/20 0.89
▸ AXL P30530 2/20 0.89
▸ PLK4 O00444 1/20 0.89
▸ ACOX3 O15254 1/20 0.89
▸ MAP3K7 O43318 1/20 0.89
▸ DYRK3 O43781 1/20 0.89
▸ JAK2 O60674 1/20 0.89
▸ ERN1 O75460 1/20 0.89
▸ RPS6KA4 O75676 1/20 0.89
▸ STK10 O94804 1/20 0.89
▸ MAP4K4 O95819 1/20 0.89
▸ RAF1 P04049 1/20 0.89
▸ NTRK1 P04629 1/20 0.89
▸ LCK P06239 1/20 0.89
▸ FYN P06241 1/20 0.89
▸ CDK1 P06493 1/20 0.89

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
Rebastinib SCHEMBL30499050 0.94 BRAF (1.00) MAPK14ABL1BRAFSRCRIPK1
Rebastinib SCHEMBL2034290 0.94 BRAF (1.00) MAPK14ABL1BRAFSRCRIPK1
Rebastinib SCHEMBL29354367 0.94 BRAF (1.00) MAPK14ABL1BRAFSRCRIPK1
Rebastinib SCHEMBL29733447 0.94 BRAF (1.00) MAPK14ABL1BRAFSRCRIPK1
Rebastinib SCHEMBL29733460 0.94 BRAF (0.99) MAPK14ABL1BRAFSRCRIPK1
Rebastinib SCHEMBL2026623 0.94 BRAF (0.99) MAPK14ABL1BRAFSRCRIPK1
SCHEMBL18814248 0.94 MAPK14 (0.88) MAPK14ABL1BRAFSRCRIPK1
SCHEMBL30681042 0.93 ABL1 (0.86) MAPK14ABL1BRAFSRCRIPK1
SCHEMBL2029025 0.93 ABL1 (0.86) MAPK14ABL1BRAFSRCRIPK1
Rebastinib SCHEMBL12079461 0.92 BRAF (0.91) MAPK14ABL1BRAFSRCRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200325130-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same UNIV YALE (US) 2020-10-15 — — US disclosed
US-20180186785-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same UNIV YALE (US) 2018-07-05 — — US disclosed
US-9938264-B2 Proteolysis targeting chimera compounds and methods of preparing and using same YALE UNIVERSITY (US) 2018-04-10 — — 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-20200325130-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same NEDD4, MDM2, CBL MAPK14 2670/4885ABL1 28/4885BRAF 1517/4885
US-20180186785-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same NEDD4, MDM2, CBL MAPK14 2670/4885ABL1 28/4885BRAF 1517/4885

“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.

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