Imatinib

Imatinib

SCHEMBL29360454

[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1([2H])[2H]

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BCRKITPDGFRB

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 known ✓ P00519 16/20 0.84
▸ BCR known ✓ P11274 14/20 0.84
▸ KIT known ✓ P10721 11/20 0.84
▸ PDGFRB known ✓ P09619 4/20 0.84
▸ PDGFRA P16234 10/20 0.84
▸ LYN P07948 2/20 0.84
▸ EGFR P00533 2/20 0.84
▸ ABL2 P42684 2/20 0.84
▸ PLK4 O00444 1/20 0.84
▸ DDX3X O00571 1/20 0.84
▸ GAK O14976 1/20 0.84
▸ SLC22A2 O15244 1/20 0.84
▸ MAPK13 O15264 1/20 0.84
▸ CA12 O43570 1/20 0.84
▸ SLC22A3 O75751 1/20 0.84
▸ ABCB11 O95342 1/20 0.84
▸ CA1 P00915 1/20 0.84
▸ CA2 P00918 1/20 0.84
▸ LMNA P02545 1/20 0.84
▸ ALB P02768 1/20 0.84

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
Imatinib SCHEMBL29355523 0.92 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL2236091 0.92 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL3827 0.92 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL29351601 0.92 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL31553098 0.91 ABL1 (0.94) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL15201213 0.91 ABL1 (0.98) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL1462774 0.91 ABL1 (0.98) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL16431247 0.91 ABL1 (0.98) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL529425 0.91 ABL1 (0.98) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL2929858 0.91 ABL1 (0.98) ABL1BCRKITPDGFRAPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240194469-A1 MASS SPECTROMETRY ANALYSIS OF MICROORGANISMS IN SAMPLES PURDUE RESEARCH FOUNDATION 2024-06-13 — — US disclosed
US-11913924-B2 Ion generation using modified wetted porous materials PURDUE RESEARCH FOUNDATION (US) 2024-02-27 — — US disclosed
US-11867684-B2 Sample dispenser including an internal standard and methods of use thereof PURDUE RESEARCH FOUNDATION (US) 2024-01-09 — — US disclosed
US-11830716-B2 Mass spectrometry analysis of microorganisms in samples PURDUE RESEARCH FOUNDATION (US) 2023-11-28 — — US disclosed
CN-117110482-A Method for detecting concentration of various CML targeted therapeutic drugs and application 南昌大学第二附属医院 2023-11-24 — — CN disclosed
US-20230341360-A1 ION GENERATION USING MODIFIED WETTED POROUS MATERIALS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-26 — — US disclosed
US-20230154737-A1 MASS SPECTROMETRY ANALYSIS OF MICROORGANISMS IN SAMPLES PURDUE RESEARCH FOUNDATION 2023-05-18 — — US disclosed
US-11635415-B2 Ion generation using modified wetted porous materials PURDUE RESEARCH FOUNDATION (US) 2023-04-25 — — US disclosed
EP-4152360-A1 ION GENERATION USING WETTED POROUS MATERIAL Purdue Research Foundation (US) 2023-03-22 — — EP disclosed
EP-3633710-B1 ION GENERATION USING WETTED POROUS MATERIAL PURDUE RESEARCH FOUNDATION (US) 2022-12-07 — — EP disclosed
EP-4099363-A1 MASS SPECTROMETRY ANALYSIS OF MICROORGANISMS IN SAMPLES Purdue Research Foundation (US) 2022-12-07 — — EP disclosed
EP-3486937-B1 MASS SPECTROMETRY ANALYSIS OF MICROORGANISMS IN SAMPLES PURDUE RESEARCH FOUNDATION (US) 2022-07-27 — — EP disclosed
US-11393668-B2 Mass spectrometry analysis of microorganisms in samples PURDUE RESEARCH FOUNDATION (US) 2022-07-19 — — US disclosed
US-20220221442-A1 SAMPLE DISPENSER INCLUDING AN INTERNAL STANDARD AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2022-07-14 — — US disclosed
US-20220133679-A1 EFFLUX INHIBITOR COMPOSITIONS AND METHODS OF TREATMENT USING THE SAME IZUMI TECHNOLOGY, LLC (US) 2022-05-05 — — US disclosed
US-11287414-B2 Sample dispenser including an internal standard and methods of use thereof PURDUE RESEARCH FOUNDATION (US) 2022-03-29 — — US disclosed
US-20220028674-A1 ION GENERATION USING MODIFIED WETTED POROUS MATERIALS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-27 — — 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 (1 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-20220133679-A1 EFFLUX INHIBITOR COMPOSITIONS AND METHODS OF TREATMENT USING THE SAME ABCB11, ABCB1, ABCC1 ABL1 1431/4885BCR 118/4885KIT 1009/4885

“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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