SCHEMBL19028071

SCHEMBL19028071

Nc1cc(Cl)c(I)c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
NQO2 P16083 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
MAPT P10636 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL29975682 1.00 GAA (0.32) GAANQO2ADORA2AADORA2BTDP1
SCHEMBL31235372 0.77
SCHEMBL21223482 0.77 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL30915338 0.77 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL29344249 0.77 NOS2 (0.37) NOS3NOS1NOS2
SCHEMBL28018242 0.77 ALDH1A1 (0.46) GAANQO2ADORA2AADORA2BTDP1
SCHEMBL28729594 0.75 CYP3A4 (0.36) GAANQO2ADORA2AADORA2BTDP1
SCHEMBL22029038 0.73 NOS2 (0.37) NOS3NOS1NOS2
SCHEMBL19785603 0.71 TDP1 (0.34) TDP1NOS3NOS1NOS2MAPT
SCHEMBL26608375 0.71 ALDH1A1 (0.41) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059205-A1 Heterocyclic Compounds and Methods of Use AMGEN INC. (US) 2025-02-20 US disclosed
EP-4329757-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-03-06 EP disclosed
CN-117561063-A Heterocyclic compounds and methods of use 安进公司 2024-02-13 CN disclosed
US-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-02-02 US disclosed
WO-2022232331-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-11-03 WO disclosed
WO-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed
WO-2020263058-A1 AMINOCYANOPYRIDINE DERIVATIVE AND USE THEREOF 한미약품 주식회사 2020-12-30 WO disclosed
WO-2017107089-A1 3- (1H-PYRAZOL-4-YL) PYRIDINEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 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 (2 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-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 ENPP1, ENPP3, ENPP2 GAA 261/4885NQO2 701/4885ADORA2A 2249/4885
US-20250059205-A1 Heterocyclic Compounds and Methods of Use KRAS, NRAS, HRAS GAA 963/4885NQO2 205/4885ADORA2A 3857/4885

“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.