SCHEMBL4885984

SCHEMBL4885984

NCCNc1ccc(NCCN)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.68
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
TDP1 Q9NUW8 5/20 0.64
BLM P54132 4/20 0.64
MAPK1 P28482 4/20 0.64
TP53 P04637 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
USP2 O75604 3/20 0.64
RECQL P46063 3/20 0.64
LMNA P02545 3/20 0.64
CSNK2A2 P19784 3/20 0.64
CSNK2B P67870 3/20 0.64
CSNK2A1 P68400 3/20 0.64
CSNK2A3 Q8NEV1 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
CYP3A4 P08684 3/20 0.64
MTOR P42345 2/20 0.64
NSD2 O96028 2/20 0.64

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
SCHEMBL29350310 1.00 CYP19A1 (0.68) CYP19A1MEN1KMT2ATDP1BLM
SCHEMBL11517791 1.00 CYP19A1 (0.68) CYP19A1MEN1KMT2ATDP1BLM
Hydrochloric Acid SCHEMBL7204221 0.98 CYP19A1 (0.66) CYP19A1MEN1KMT2ATDP1BLM
Hydrochloric Acid SCHEMBL4891873 0.97 CYP19A1 (0.64) CYP19A1MEN1KMT2ATDP1BLM
SCHEMBL13194235 0.92 CYP19A1 (0.59) CYP19A1MEN1KMT2ATDP1BLM
SCHEMBL19745828 0.92 CSNK2A2 (0.61) CYP19A1MEN1KMT2ATDP1BLM
SCHEMBL10624602 0.91 CYP19A1 (0.57) CYP19A1MEN1KMT2ATDP1BLM
SCHEMBL10523397 0.90 MEN1 (0.75) CYP19A1MEN1KMT2ATDP1BLM
SCHEMBL10524500 0.90 CYP19A1 (0.73) CYP19A1MEN1KMT2ATDP1BLM
SCHEMBL20334208 0.89 MEN1 (0.58) CYP19A1MEN1KMT2ATDP1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820738-A ANTITUMOR AGENTS; CHELATING AGENTS; GROWTH INHIBITORS; LEUKEMIA AMERICAN CYANAMID COMPANY (US) 1989-04-11 US claimed
US-4526989-A And ascorbic acid salt AMERICAN CYANAMID COMPANY (US) 1985-07-02 US claimed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
WO-2008042611-A2 METHOD OF USING IL6 ANTAGONISTS WITH MITOXANTRONE FOR PROSTATE CANCER CENTOCOR, INC. (US) 2008-04-10 WO disclosed
US-20080081041-A1 Method of Using IL6 Antagonists with Mitoxantrone for Prostate Cancer NEMETH JEFFREY 2008-04-03 US disclosed
US-5981600-A Hydroxyanthraquinone derivatives BAYKUT FIKRET (TR) 1999-11-09 US disclosed
EP-0295316-B1 Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones AMERICAN CYANAMID CO (US) 1995-11-08 EP disclosed
EP-0217577-B1 ANTIBODY COMPLEXES OF HAPTEN-MODIFIED DIAGNOSTIC OR THERAPEUTIC AGENTS HYBRITECH INCORPORATED (US) 1992-06-10 EP disclosed
EP-0489220-A1 Cytotoxic N,N'-bis (succinyl-peptide-) derivatives of 1,4-bis (aminoalkyl)-5,8-dihydroxyanthraquinones and antibody conjugates thereof AMERICAN CYANAMID COMPANY (US) 1992-06-10 EP disclosed
EP-0170290-B1 AMINO-ANTHRACENEDIONES-PLATINUM COMPLEXES USEFUL AS ANTI-CANCER COMPOUNDS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-06-13 EP disclosed
US-4888137-A CHELATING AGENTS, ANTICARCINOGENIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-12-19 US disclosed
EP-0295316-A2 Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-12-21 EP disclosed
US-4732893-A ANTITUMOR AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1988-03-22 US disclosed
US-4732970-A Antitumor amino acid and peptide derivatives of 1,4-bis(aminoalkyl and hydroxy-aminoalkyl)amino)-5,8-dihydroxyanthraquinones AMERICAN CYANAMID COMPANY (US) 1988-03-22 US disclosed
EP-0217577-A2 Antibody complexes of hapten-modified diagnostic or therapeutic agents HYBRITECH INCORPORATED (US) 1987-04-08 EP disclosed
EP-0182135-A2 Novel bis-(substituted amino) anthraquinones AMERICAN CYANAMID COMPANY (US) 1986-05-28 EP disclosed
EP-0154117-A1 Use of 1,4 bis(substituted) anthrachinones for the manufacture of immunosuppresiva AMERICAN CYANAMID COMPANY (US) 1985-09-11 EP disclosed
US-4540788-A CHELATE COMPOUNDS, ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1985-09-10 US disclosed
EP-0131787-A2 Novel Schiff bases of (aminoalkyl or substituted aminoalkyl)-amino-9,10-anthracenediones AMERICAN CYANAMID COMPANY (US) 1985-01-23 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 (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-20080081041-A1 Method of Using IL6 Antagonists with Mitoxantrone for Prostate Cancer IL6, IL6ST, KLK3 CYP19A1 178/4885MEN1 1315/4885KMT2A 2211/4885

“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.