Irinotecan

Irinotecan

SCHEMBL131381

CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 0.78
▸ GLA P06280 2/20 1.00
▸ GAA P10253 2/20 1.00
▸ SLC22A2 O15244 1/20 1.00
▸ SLC22A1 O15245 1/20 1.00
▸ SLC22A3 O75751 1/20 1.00
▸ MMP1 P03956 1/20 1.00
▸ CHRM4 P08173 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ ADRA2C P18825 1/20 1.00
▸ ACHE P22303 1/20 1.00
▸ SLC47A2 Q86VL8 1/20 1.00
▸ SLC47A1 Q96FL8 1/20 1.00
▸ KDM4E B2RXH2 1/20 0.99
▸ ALDH1A1 P00352 1/20 0.99
▸ LMNA P02545 1/20 0.99
▸ HPGD P15428 1/20 0.99
▸ SMN1; SMN2 Q16637 1/20 0.99
▸ HSD17B10 Q99714 1/20 0.99
▸ PAX8 Q06710 1/20 0.97

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 SCHEMBL19534323 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL12313065 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL29367581 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL29356918 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL4034 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL13420262 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL1501478 0.99 GLA (0.99) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL4164613 0.99 GLA (0.99) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL663859 0.99 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL5693425 0.99 PAX8 (0.99) GLAGAASLC22A2SLC22A1SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 — — EP claimed
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 — — WO claimed
CN-110475571-B Replacement for cellular immunotherapy pre-conditioning for cytotoxicity AVM生物技术有限责任公司 2023-04-04 — — CN disclosed
US-20210244854-A1 EXPANDABLE BONE AND TISSUE REGENERATION SYSTEM, AND APPLICATIONS OF SAME THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2021-08-12 — — US disclosed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 — — EP disclosed
EP-3621633-A2 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2020-03-18 — — EP disclosed
CN-110475571-A The substitution of cytotoxicity preconditioned before cellular immunotherapy AVM BIOTECHNOLOGY LLC 2019-11-19 — — CN disclosed
EP-3479818-A1 LONG ACTING INJECTABLE PARASITICIDAL FORMULATIONS Merial, Inc. (US) 2019-05-08 — — EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 — — WO disclosed
US-20190022279-A1 TUNABLE POROUS 3D BIODEGRADABLE, BIOCOMPATIBLE POLYMER/NANOMATERIAL SCAFFOLDS, AND FABRICATING METHODS AND APPLICATIONS OF SAME UNITED STATES GOVERNMENT 2019-01-24 — — US disclosed
WO-2018208954-A2 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2018-11-15 — — WO disclosed
US-6602879-B2 For inhibiting the replication or infectivity of a virus; therapy GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-08-05 — — US disclosed
US-20030119894-A1 Methods for treatment of cancer or neoplastic disease and for inhibiting growth of cancer cells and neoplastic cells GEMIN X BIOTECHNOLOGIES INC. 2003-06-26 — — US disclosed
US-6583309-B1 Such as 1-(5-Amino-1-(3-(1-aminomethyl-4-guanidino-butyl)-ureidomethyl)-pentyl)-3-(5-guanidino-2-ureido-pentyl)-urea UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2003-06-24 — — US disclosed
WO-2003015788-A1 METHODS FOR TREATMENT OF PREVENTION OF CANCER OR NEOPLASTIC DISEASES GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-02-27 — — WO disclosed
WO-2003008410-A2 POLYPYRROLES AS AGENTS FOR TREATING CANCER, TREATING VIRAL DISEASES AND CAUSING IMMUNOSUPPRESSION GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-01-30 — — WO disclosed
EP-1226115-A1 NOVEL CARBAMATES AND UREAS University of Medicine and Dentistry of New Jersey (US) 2002-07-31 — — EP disclosed
US-6420591-B1 ANTICARCINOGENIC AGENTS AND VIRICIDES UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2002-07-16 — — US disclosed
US-6407244-B1 ANTIPROLIFERATIVE AGENT GEMIN X BIOTECHNOLOGIES INC. (CA) 2002-06-18 — — US disclosed
WO-2001025188-A1 NOVEL CARBAMATES AND UREAS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2001-04-12 — — WO 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-20030119894-A1 Methods for treatment of cancer or neoplastic disease and for inhibiting growth of cancer cells and neoplastic cells BAX, BCL2, BCL2L11 TOP1 198/4885GLA 2664/4885GAA 2030/4885

“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.

Send feedback