SCHEMBL4734113

SCHEMBL4734113

O=Cc1cc(-c2ccncc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 1.00
QDPR P09417 1/20 0.60
CHUK O15111 1/20 0.53
CYP17A1 P05093 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL29682880 0.86 ERN1 (0.74) ERN1
SCHEMBL24086095 0.86 ERN1 (0.74) ERN1
SCHEMBL31398624 0.85 ERN1 (0.74) ERN1QDPRCHUKCYP17A1CYP3A4
SCHEMBL6640732 0.82 ERN1 (0.70) ERN1
SCHEMBL30554383 0.82 ERN1 (0.69) ERN1
SCHEMBL30554384 0.82 ERN1 (0.69) ERN1
SCHEMBL29751505 0.82 ERN1 (0.69) ERN1
SCHEMBL26606756 0.82 ERN1 (0.69) ERN1
SCHEMBL30362773 0.81 ERN1 (0.71) ERN1
SCHEMBL1711118 0.81 ERN1 (0.71) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108661-B Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-09-20 CN disclosed
CN-118125972-B Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-09-20 CN disclosed
CN-118125972-A Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-06-04 CN disclosed
CN-118108661-A Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-05-31 CN disclosed
CN-108503848-B Salen-Rh (II) coordination polymer and preparation method and application thereof 邯郸学院 2020-09-22 CN disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
EP-1412327-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG Biomedical Institute (US) 2004-04-28 EP disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 US disclosed
WO-2002096867-A2 INHIBITORS OF PROTEIN KINASE FOR THE TREATMENT OF DISEASE LG BIOMEDICAL INSTITUTE (US) 2002-12-05 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885QDPR 3619/4885CHUK 203/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX ERN1 2740/4885QDPR 758/4885CHUK 805/4885
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 ERN1 446/4885QDPR 1963/4885CHUK 121/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 ERN1 446/4885QDPR 1963/4885CHUK 121/4885

“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.