SCHEMBL5828518

SCHEMBL5828518

COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
KMT2A Q03164 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00
PDGFRB P09619 2/20 0.78
PDGFRA P16234 2/20 0.78
FLT3 P36888 2/20 0.77

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
SCHEMBL29354248 1.00 MEN1 (1.00) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6395923 0.91 HDAC6 (0.84) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6389792 0.90 MEN1 (0.82) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6866887 0.88 PDGFRB (1.00) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6420769 0.87 FLT3 (0.80) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6865103 0.87 FLT3 (1.00) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6171445 0.87 MEN1 (0.76) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5507174 0.86 FLT3 (0.80) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6389802 0.86 FLT3 (0.80) MEN1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL7066254 0.86 FLT3 (0.80) MEN1CYP1A2CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 WO disclosed
US-20090042820-A1 Tubulin Binding Anti Cancer Agents And Prodrugs Thereof THRESHOLD PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed
US-20050267303-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals ZENTARIS AG 2005-12-01 US disclosed
EP-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP disclosed
EP-1423393-A1 CYCLIC INDOLE AND HETEROINDOLE DERIVATIVES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Zentaris GmbH (DE) 2004-06-02 EP disclosed
US-20040039197-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals WATERWORKS, INC. 2004-02-26 US disclosed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO disclosed
WO-2003020731-A1 CYCLIC INDOLE AND HETEROINDOLE DERIVATIVES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ZENTARIS GMBH (DE) 2003-03-13 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 (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-20090042820-A1 Tubulin Binding Anti Cancer Agents And Prodrugs Thereof TUBB1, TUBB, TUBB6 MEN1 4159/4885CYP1A2 4175/4885CYP3A4 4202/4885
US-20050267303-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals IDO1, IDO2, INMT MEN1 279/4885CYP1A2 99/4885CYP3A4 80/4885
US-20040039197-A1 Cyclic indole and heteroindole derivatives and methods for making and using as pharmaceuticals IDO1, IDO2, INMT MEN1 238/4885CYP1A2 96/4885CYP3A4 82/4885

“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.