Irinotecan

Irinotecan

SCHEMBL19534323

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 SCHEMBL29367581 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL131381 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 SCHEMBL12313065 1.00 GLA (1.00) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL1501486 0.99 GLA (0.99) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL4164613 0.99 GLA (0.99) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL5693425 0.99 PAX8 (0.99) GLAGAASLC22A2SLC22A1SLC22A3
Irinotecan SCHEMBL4450369 0.99 GLA (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252160-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS IL-2RX 2021-08-19 US disclosed
US-20210205456-A1 TARGETED LIPOSOMES GEORGETOWN UNIVERSITY 2021-07-08 US disclosed
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES SIGNAL PHARM LLC (US) 2017-11-02 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-20210252160-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS TNFRSF9, EGFR, NGFR TOP1 4164/4885GLA 2648/4885GAA 858/4885
US-20210205456-A1 TARGETED LIPOSOMES MEN1, RB1, CD47 TOP1 144/4885GLA 1673/4885GAA 1068/4885
US-20170312278-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY COMPRISING ADMINISTERING SUBSTITUTED PYRAZINO[2,3-b]PYRAZINES MTOR, ULK2, TTK TOP1 509/4885GLA 3077/4885GAA 2000/4885

“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.