SCHEMBL25219845

SCHEMBL25219845

O=[N+]([O-])c1cc(Br)c2nccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TXNRD1 Q16881 2/20 0.40
▸ TXNRD3 Q86VQ6 2/20 0.40
▸ TXNRD2 Q9NNW7 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ MEN1 O00255 4/20 0.39

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
SCHEMBL28553829 0.75 NQO2 (0.51) NQO2ALDH1A1CYP3A4HTTMAPT
SCHEMBL15007822 0.75 MAPT (0.68) NQO2ALDH1A1HTTMAPTKDM4E
SCHEMBL6782564 0.72 NQO2 (0.45) NQO2ALDH1A1CYP3A4HTTMAPT
SCHEMBL23363761 0.72 NQO2 (0.45) NQO2ALDH1A1CYP3A4HTTMAPT
SCHEMBL24373627 0.71 ESR2 (0.39) NQO2ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL27487952 0.70 NQO2 (0.50) NQO2ALDH1A1CYP3A4HTTMAPT
SCHEMBL19762910 0.70 NQO2 (0.47) NQO2ALDH1A1CYP3A4HTTMAPT
SCHEMBL994720 0.70 MEN1 (0.56) NQO2ALDH1A1CYP3A4HTTMAPT
SCHEMBL17875688 0.70 NQO2 (0.45) NQO2ALDH1A1CYP3A4HTTMAPT
SCHEMBL212004 0.69 TXNRD1 (0.58) ALDH1A1CYP3A4MAPTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171464-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2025-05-29 — — US disclosed
WO-2025084787-A1 NOVEL QUINOXALINE COMPOUNDS, MANUFACTURING METHOD THEREOF, AND USES THEREOF 가천대학교 산학협력단 2025-04-24 — — WO disclosed
US-12275745-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2025-04-15 — — US disclosed
EP-4490159-A1 TRICYCLIC HETEROCYCLE COMPOUNDS AS IAP ANTAGONISTS Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2025-01-15 — — EP disclosed
EP-4436969-A2 BICYCLIC THERAPEUTIC COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-10-02 — — EP disclosed
CN-118451077-A Bicyclic therapeutic compounds and methods for treatment of cancer 基因泰克公司 2024-08-06 — — CN disclosed
WO-2023169569-A1 TRICYCLIC HETEROCYCLE COMPOUNDS AS IAP ANTAGONISTS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-09-14 — — WO disclosed
CN-116731016-A Tricyclic heterocyclic compounds as IAP antagonists 苏州亚盛药业有限公司 2023-09-12 — — CN disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — US disclosed
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — US disclosed
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — US disclosed
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 — — US disclosed
WO-2023097194-A2 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-01 — — 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-20250171464-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 NQO2 115/4885ALDH1A1 829/4885CYP3A4 2755/4885
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 NQO2 115/4885ALDH1A1 829/4885CYP3A4 2755/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 NQO2 3101/4885ALDH1A1 2690/4885CYP3A4 3314/4885
US-12275745-B2 Therapeutic compounds and methods of use VHL, TP53, MCL1 NQO2 115/4885ALDH1A1 829/4885CYP3A4 2755/4885

“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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