Dubermatinib

Dubermatinib

SCHEMBL29814119

CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2)CC1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Dubermatinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 16/20 0.87
▸ AURKA O14965 1/20 0.87
▸ AURKB Q96GD4 1/20 0.87
▸ NEK2 P51955 1/20 0.69
▸ PTK2 Q05397 4/20 0.62

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
Dubermatinib SCHEMBL29814405 1.00 AXL (0.87) AXLAURKAAURKBNEK2PTK2
Dubermatinib SCHEMBL30437663 1.00 AXL (0.87) AXLAURKAAURKBNEK2PTK2
Dubermatinib SCHEMBL12813478 0.93 AXL (1.00) AXLAURKAAURKBNEK2PTK2
Dubermatinib SCHEMBL29394359 0.93 AXL (1.00) AXLAURKAAURKBNEK2PTK2
SCHEMBL21446913 0.87 AXL (0.87) AXLAURKAAURKBNEK2PTK2
SCHEMBL24727537 0.86 AXL (0.86) AXLAURKAAURKBNEK2PTK2
SCHEMBL25550069 0.85 AXL (0.84) AXLAURKAAURKBNEK2PTK2
SCHEMBL25549741 0.85 AXL (0.84) AXLAURKAAURKBNEK2PTK2
SCHEMBL25838024 0.84 AXL (0.83) AXLAURKAAURKBNEK2PTK2
SCHEMBL25838086 0.84 AXL (0.83) AXLAURKAAURKBNEK2PTK2

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-20230165857-A1 AXL KINASE INHIBITORS AND USE OF THE SAME SUMITOMO PHARMA ONCOLOGY, INC. 2023-06-01 — — US disclosed
US-20220380348-A1 AXL INHIBITOR FORMULATIONS SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2022-12-01 — — US disclosed
US-11400091-B2 AXL kinase inhibitors and use of the same SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-08-02 — — 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-11400091-B2 AXL kinase inhibitors and use of the same AXL, FLT3, TEC AXL 1/4885AURKA 100/4885AURKB 167/4885
US-20220380348-A1 AXL INHIBITOR FORMULATIONS AXL, FYN, SYK AXL 1/4885AURKA 742/4885AURKB 1005/4885
US-20230165857-A1 AXL KINASE INHIBITORS AND USE OF THE SAME AXL, FLT3, TEC AXL 1/4885AURKA 94/4885AURKB 164/4885

“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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