Sugi Predict

Sugi Predict / Compounds / SCHEMBL2263102

SCHEMBL2263102

SCHEMBL2263102

Cc1ccc(C(=O)O)c([N+](=O)[O-])c1I

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ HAAO P46952 1/20 0.38

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
SCHEMBL431501 0.89 ALDH1A1 (0.46) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL503509 0.85 ALDH1A1 (0.48) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28300921 0.85 TSHR (0.53) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL5314234 0.84 ALDH1A1 (0.47) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL29561089 0.83 TSHR (0.51) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL1355836 0.83 TSHR (0.51) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2381586 0.81 TSHR (0.54) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27550706 0.81 TDP1 (0.54) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL23699516 0.80 TSHR (0.45) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2598195 0.80 TDP1 (0.49) TSHRALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — US disclosed
US-20210024501-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC 2021-01-28 — — US disclosed
US-10745385-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2020-08-18 — — US disclosed
EP-3630745-A2 COVALENT INHIBITORS OF KRAS Araxes Pharma LLC (US) 2020-04-08 — — EP disclosed
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 — — US disclosed
CN-110869358-A Covalent inhibitors of KRAS 亚瑞克西斯制药公司 2020-03-06 — — CN disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 — — US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 — — WO disclosed
WO-2018218070-A2 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2018-11-29 — — WO disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 — — US disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 — — EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 — — WO disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — 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 (7 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 TSHR 2965/4885ALDH1A1 26/4885TDP1 3274/4885
US-20210024501-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS TSHR 2016/4885ALDH1A1 1640/4885TDP1 3486/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 TSHR 1037/4885ALDH1A1 2020/4885TDP1 2349/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 TSHR 2965/4885ALDH1A1 26/4885TDP1 3274/4885
US-10745385-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS TSHR 2016/4885ALDH1A1 1640/4885TDP1 3486/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS TSHR 2016/4885ALDH1A1 1640/4885TDP1 3486/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 TSHR 2958/4885ALDH1A1 1563/4885TDP1 1980/4885

“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.