Itraconazole

Itraconazole

SCHEMBL16984893

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Itraconazole. 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
▸ CYP3A4 P08684 19/20 1.00
▸ ABCG2 Q9UNQ0 3/20 1.00
▸ LMNA P02545 3/20 1.00
▸ CYP51A1 Q16850 3/20 1.00
▸ FYN P06241 2/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ ABCB11 O95342 2/20 1.00
▸ ABCB1 P08183 2/20 1.00
▸ MAPT P10636 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ HIF1A Q16665 2/20 1.00
▸ CYP8B1 Q9UNU6 2/20 1.00
▸ CXCR1 P25024 1/20 1.00
▸ TACR1 P25103 1/20 1.00
▸ AVPR2 P30518 1/20 1.00
▸ CCR4 P51679 1/20 1.00
▸ PDE4D Q08499 1/20 1.00
▸ NR1I2 O75469 2/20 0.75
▸ HSP90AA1 P07900 2/20 0.75

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
Itraconazole SCHEMBL13575828 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL18241655 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL23934 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL14875797 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL12392762 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL14875571 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL18073408 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL14875749 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL18073409 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN
Itraconazole SCHEMBL23935 1.00 CYP3A4 (1.00) CYP3A4ABCG2LMNACYP51A1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4319556-A1 USE OF ANTI-CLOTTING COMPOUNDS AS RODENTICIDES Gulba, Dietrich (DE) 2024-02-14 — — EP claimed
WO-2022214485-A1 USE OF ANTI-CLOTTING COMPOUNDS AS RODENTICIDES BIOROXX GMBH (DE) 2022-10-13 — — WO claimed
EP-4743111-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING FUNGAL INFECTIONS Rutgers, the State University of New Jersey (US) 2026-05-20 — — EP disclosed
US-12590963-B2 Anti-cancer treatment of preselected subjects and screening methods to identify susceptible subjects TUDAG TU DRESDEN AKTIENGESELLSCHAFT (DE) 2026-03-31 — — US disclosed
JP-2026005802-A — 株式会社バイオジェノミクス 2026-01-16 — — JP disclosed
EP-4615869-A1 COMBINATION THERAPY COMPRISING BISPECIFIC ANTIBODIES COMPRISING AN NRP1 BINDING DOMAIN Pinetree Therapeutics, Inc. (US) 2025-09-17 — — EP disclosed
EP-3346998-B1 TOPICAL FILM DELIVERY SYSTEM SIDMAK LABORATORIES INDIA PVT LTD (IN) 2025-04-16 — — EP disclosed
WO-2025015118-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING FUNGAL INFECTIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-01-16 — — WO disclosed
JP-7584834-B1 — 株式会社バイオジェノミクス 2024-11-18 — — JP disclosed
US-12115213-B2 Methods of treating fungal infections RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-15 — — US disclosed
US-12023343-B2 Thermo-kinetic mixing for pharmaceutical applications AustinPx, LLC (US) 2024-07-02 — — US disclosed
US-20130102614-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS JOHNS HOPKINS UNIVERSITY 2013-04-25 — — US disclosed
EP-2431477-A1 POLYKETIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-21 — — EP disclosed
US-20120059038-A1 POLYKETIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-03-08 — — US disclosed
US-20120059038-A1 POLYKETIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-03-08 — — US disclosed
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INC. 2012-02-23 — — US disclosed
US-20110262517-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE AND INHIBITORS OF LANOSTEROL 14A-DEMETHYLASE FOR USE AS ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-27 — — US disclosed
US-20110262517-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE AND INHIBITORS OF LANOSTEROL 14A-DEMETHYLASE FOR USE AS ANGIOGENESIS INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-27 — — US disclosed
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL BV 2010-04-08 — — US disclosed
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID INTERVET INTERNATIONAL BV 2010-04-08 — — 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 (6 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-20120059038-A1 POLYKETIDE COMPOUND IL5, IL15, KAT5 CYP3A4 3180/4885ABCG2 3668/4885LMNA 2712/4885
US-20100087409-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID CYP21A2, CYP27A1, NR3C2 CYP3A4 563/4885ABCG2 1599/4885LMNA 1358/4885
US-20120046259-A1 COMPOSITION COMPRISING AN ANTIBIOTIC AND A CORTICOSTEROID CYP21A2, CYP27A1, NR3C2 CYP3A4 563/4885ABCG2 1599/4885LMNA 1358/4885
US-20110262517-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE AND INHIBITORS OF LANOSTEROL 14A-DEMETHYLASE FOR USE AS ANGIOGENESIS INHIBITORS CYP51A1, LSS, ERG28 CYP3A4 105/4885ABCG2 1135/4885LMNA 3464/4885
US-20130102614-A1 CHIRALLY PURE ISOMERS OF ITRACONAZOLE FOR USE AS ANGIOGENESIS INHIBITORS TEK, KDR, FLT1 CYP3A4 567/4885ABCG2 163/4885LMNA 4600/4885
US-12590963-B2 Anti-cancer treatment of preselected subjects and screening methods to identify susceptible subjects TPM4, TPM3, TAGLN2 CYP3A4 171/4885ABCG2 222/4885LMNA 584/4885

“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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