SCHEMBL5025520

SCHEMBL5025520

c1cc(-c2cn[nH]n2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 1.00
METAP2 P50579 11/20 0.65
KEAP1 Q14145 1/20 0.65
SIRT3 Q9NTG7 1/20 0.62
METAP1 P53582 1/20 0.61
NOTUM Q6P988 1/20 0.61
BRAF P15056 1/20 0.58
MAPK14 Q16539 1/20 0.49

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
Ethoxycarbonyl Group SCHEMBL28826892 0.79 IDO1 (0.63) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL8221447 0.79 METAP2 (1.00) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL8664138 0.77 METAP2 (0.95) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL29539786 0.77 METAP2 (1.00) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL28058540 0.77 METAP2 (1.00) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL28070596 0.76 METAP2 (1.00) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL104083 0.76 METAP2 (0.64) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL29626826 0.76 METAP2 (1.00) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL28033548 0.76 METAP2 (0.64) IDO1METAP2KEAP1SIRT3METAP1
SCHEMBL1030506 0.76 METAP2 (0.63) IDO1METAP2KEAP1SIRT3METAP1

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-20240245667-A1 MATERIALS AND METHODS USEFUL TO INDUCE CANCER CELL DEATH VIA METHUOSIS OR AUTOPHAGY OR A COMBINATION THEREOF THE UNIVERSITY OF TOLEDO (US) 2024-07-25 US claimed
US-20220370430-A1 MATERIALS AND METHODS USEFUL TO INDUCE CANCER CELL DEATH VIA METHUOSIS OR AUTOPHAGY OR A COMBINATION THEREOF THE UNIVERSITY OF TOLEDO (US) 2022-11-24 US claimed
US-20200297709-A1 MATERIALS AND METHODS USEFUL TO INDUCE CANCER CELL DEATH VIA METHUOSIS OR AUTOPHAGY OR A COMBINATION THEREOF THE UNIVERSITY OF TOLEDO (US) 2020-09-24 US disclosed
CN-105541796-A Synthetic method of NH-1,2,3-triazole bipyridine compounds WUHAN INST TECHNOLOGY 2016-05-04 CN disclosed
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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 (4 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-20200297709-A1 MATERIALS AND METHODS USEFUL TO INDUCE CANCER CELL DEATH VIA METHUOSIS OR AUTOPHAGY OR A COMBINATION THEREOF BECN1, ATG7, CASP3 IDO1 2244/4885METAP2 1196/4885KEAP1 484/4885
US-20240245667-A1 MATERIALS AND METHODS USEFUL TO INDUCE CANCER CELL DEATH VIA METHUOSIS OR AUTOPHAGY OR A COMBINATION THEREOF BECN1, ATG7, CASP3 IDO1 2244/4885METAP2 1196/4885KEAP1 484/4885
US-20220370430-A1 MATERIALS AND METHODS USEFUL TO INDUCE CANCER CELL DEATH VIA METHUOSIS OR AUTOPHAGY OR A COMBINATION THEREOF BECN1, ATG7, CASP3 IDO1 2244/4885METAP2 1196/4885KEAP1 484/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 IDO1 3686/4885METAP2 2409/4885KEAP1 3895/4885

“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.