Exatecan

Exatecan

SCHEMBL6047672

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.Cl

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP1

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

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP1 known ✓ P11387 19/20 0.59
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
Exatecan SCHEMBL29548714 1.00 TOP1 (0.59) TOP1MEN1KMT2A
Exatecan SCHEMBL7163616 1.00 TOP1 (0.59) TOP1MEN1KMT2A
Exatecan SCHEMBL31615015 0.99 TOP1 (0.60) TOP1MEN1KMT2A
Exatecan SCHEMBL7249645 0.99 TOP1 (0.60) TOP1MEN1KMT2A
Exatecan SCHEMBL7255477 0.99 TOP1 (0.60) TOP1MEN1KMT2A
Exatecan SCHEMBL25349032 0.99 TOP1 (0.60) TOP1MEN1KMT2A
Exatecan SCHEMBL2512959 0.99 TOP1 (0.60) TOP1MEN1KMT2A
Exatecan SCHEMBL23471938 0.99 TOP1 (0.60) TOP1MEN1KMT2A
Exatecan SCHEMBL26320 0.99 TOP1 (0.60) TOP1MEN1KMT2A
Exatecan SCHEMBL29351332 0.99 TOP1 (0.60) TOP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109460-A1 Medicinal composition containing camptothecin derivative and ph regulating agent DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-12 US claimed
EP-1310254-A1 MEDICINAL COMPOSITIONS CONTAINING CAMPTOTHECIN DERIVATIVE AND PH REGULATING AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-14 EP claimed
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-03-09 US disclosed
US-20030109460-A1 Medicinal composition containing camptothecin derivative and ph regulating agent DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-12 US disclosed
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor TANABE SEIYAKU CO., LTD. (JP) 2003-05-15 US disclosed
EP-1310254-A1 MEDICINAL COMPOSITIONS CONTAINING CAMPTOTHECIN DERIVATIVE AND PH REGULATING AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-14 EP disclosed
US-6552197-B2 Condensed-hexacyclic compounds and a process therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
US-6504029-B1 Reacting methanesulfonic acid with camptothecins, then crystallization and isomerization to obtain hydrophylic, filterable and soluble isomers DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-07 US disclosed
US-20010034446-A1 Condensed-hexacyclic compounds and a process therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-10-25 US disclosed
EP-0737686-B1 Camthothecin derivative with antitumor activity DAIICHI SEIYAKU CO (JP) 1999-07-07 EP disclosed
EP-0737686-A1 Camthothecin derivative with antitumour activity Daiichi Pharmaceutical Co., Ltd. (JP) 1996-10-16 EP 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-20010034446-A1 Condensed-hexacyclic compounds and a process therefor CYP51A1, CYP4F11, FAR1 TOP1 1597/4885MEN1 496/4885KMT2A 4311/4885
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC TOP1 3747/4885MEN1 72/4885KMT2A 3113/4885
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC TOP1 3747/4885MEN1 72/4885KMT2A 3113/4885

“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.