Irinotecan

Irinotecan

SCHEMBL478241

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP1

The experimentally established mechanism targets of Irinotecan. 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
TOP1 known ✓ P11387 6/20 0.73
GLA P06280 3/20 0.84
GAA P10253 2/20 0.84
SLC22A2 O15244 2/20 0.84
CYP3A4 P08684 2/20 0.84
SLC47A2 Q86VL8 2/20 0.84
SLC47A1 Q96FL8 2/20 0.84
SLC22A1 O15245 1/20 0.84
SLC22A3 O75751 1/20 0.84
MMP1 P03956 1/20 0.84
CHRM4 P08173 1/20 0.84
ADRA2C P18825 1/20 0.84
ACHE P22303 1/20 0.84
SMN1; SMN2 Q16637 4/20 0.83
KDM4E B2RXH2 3/20 0.83
LMNA P02545 3/20 0.83
ALDH1A1 P00352 2/20 0.83
HPGD P15428 1/20 0.83
HSD17B10 Q99714 1/20 0.83
PAX8 Q06710 1/20 0.82

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
Irinotecan SCHEMBL1408971 0.96 GLA (0.78) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL28244782 0.96 GLA (0.78) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL6464849 0.95 GLA (0.75) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL12313065 0.92 GLA (1.00) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL13420262 0.92 GLA (1.00) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL19534323 0.92 GLA (1.00) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL29367581 0.92 GLA (1.00) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL4034 0.92 GLA (1.00) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL131381 0.92 GLA (1.00) GLAGAASLC22A2CYP3A4SLC47A2
Irinotecan SCHEMBL29356918 0.92 GLA (1.00) GLAGAASLC22A2CYP3A4SLC47A2

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058322-A1 COMPOSITIONS OF CXCR4 INHIBITORS AND METHODS OF PREPARATION AND USE X4 PHARMACEUTICALS, INC. 2024-02-22 US disclosed
US-20230338520-A1 Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient PEYMAN GHOLAM A (US) 2023-10-26 US disclosed
US-11707518-B2 Method of treating, reducing, or alleviating a medical condition in a patient PEYMAN GHOLAM A (US) 2023-07-25 US disclosed
US-11672793-B2 Compositions of CXCR4 inhibitors and methods of preparation and use X4 PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
CN-116209439-A Substituted N- (2, 6-dioxopiperidin-3-yl) -1, 3-dioxoisoindolin-5-yl) arylsulfonamide analogs as cereblon modulators 圣裘德儿童研究医院有限公司 2023-06-02 CN disclosed
US-20220202933-A1 Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient PEYMAN GHOLAM A (US) 2022-06-30 US disclosed
US-11260116-B2 Vaccine compositions comprising an amphipathic compound, a neoantigen and a hydrophobic carrier, and methods of use thereof IMMUNOVACCINE TECHNOLOGIES INC. (CA) 2022-03-01 US disclosed
US-20220008410-A1 COMPOSITIONS OF CXCR4 INHIBITORS AND METHODS OF PREPARATION AND USE X4 PHARMACEUTICALS, INC. 2022-01-13 US disclosed
EP-3884939-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2021-09-29 EP disclosed
US-11045461-B2 Compositions of CXCR4 inhibitors and methods of preparation and use X4 PHARMACEUTICALS, INC. (US) 2021-06-29 US disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 WO disclosed
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents SIRCAR JAGADISH C (US) 2004-10-28 US disclosed
US-20040180946-A1 Phenyl-indole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-09-16 US disclosed
US-6759425-B2 USEFUL IN THE TREATMENT OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IGE IS PATHOGENIC; ALSO ARE USEFUL AS ANTICANCER AGENTS. AVANIR PHARMACEUTICALS 2004-07-06 US disclosed
US-20040116466-A1 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-06-17 US disclosed
WO-2004024897-A2 PHENYL-AZA-BENZIMIDAZOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2004-03-25 WO disclosed
WO-2004024896-A2 PHENYL-INDOLE COMPOUNDS AVANIR PHARMACEUTICALS (US) 2004-03-25 WO disclosed
EP-1368028-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2003-12-10 EP disclosed
WO-2002072090-A1 BENZIMIDAZOLE COMPOUNDS FOR MODULATING IGE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2002-09-19 WO disclosed
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2002-09-19 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 (8 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-20220008410-A1 COMPOSITIONS OF CXCR4 INHIBITORS AND METHODS OF PREPARATION AND USE CXCR4, CXCL12, CXCR1 TOP1 3203/4885GLA 3058/4885GAA 2592/4885
US-20040180946-A1 Phenyl-indole compounds for modulating IgE and inhibiting cellular proliferation IDO1, IDO2, CMA1 TOP1 2599/4885GLA 3794/4885GAA 3042/4885
US-11260116-B2 Vaccine compositions comprising an amphipathic compound, a neoantigen and a hydrophobic carrier, and methods of use thereof TP53, HLA-DRB1, CD74 TOP1 1455/4885GLA 2211/4885GAA 2213/4885
US-20040214821-A1 Useful in the treatment of allergy and/or asthma or any diseases where Immunoglobulin E (IgE) is pathogenic; anticancer agents FCER2, CMA1, FCGR1A TOP1 1213/4885GLA 2176/4885GAA 735/4885
US-11672793-B2 Compositions of CXCR4 inhibitors and methods of preparation and use CXCR4, CXCL12, CXCR1 TOP1 3203/4885GLA 3058/4885GAA 2592/4885
US-20240058322-A1 COMPOSITIONS OF CXCR4 INHIBITORS AND METHODS OF PREPARATION AND USE CXCR4, CXCL12, CXCR1 TOP1 3203/4885GLA 3058/4885GAA 2592/4885
US-11045461-B2 Compositions of CXCR4 inhibitors and methods of preparation and use CXCR4, CXCL12, CXCR1 TOP1 3203/4885GLA 3058/4885GAA 2592/4885
US-20020132808-A1 Benzimidazole compounds for modulating IgE and inhibiting cellular proliferation MKI67, CMA1, CCNI TOP1 1864/4885GLA 3883/4885GAA 1234/4885

“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.