SCHEMBL2728413

SCHEMBL2728413

NC(=O)c1csc(-c2cn[nH]c2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ CYP2C19 P33261 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGDS O60760 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ DNM1L O00429 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ILK Q13418 1/20 0.38
▸ AR P10275 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
Hydrochloric Acid SCHEMBL31122121 0.98 CHEK1 (0.47) HTR2BCHEK1CYP2C19ACHECYP2C9
Formic Acid SCHEMBL31708359 0.94 CHEK1 (0.44) HTR2BCHEK1CYP2C19ACHECYP2C9
Phosphoric Acid SCHEMBL31122117 0.94 CHEK1 (0.47) HTR2BCHEK1CYP2C19ACHECYP2C9
Succinic Acid SCHEMBL31122141 0.92 CHEK1 (0.43) HTR2BCHEK1CYP2C19ACHECYP2C9
Cadaverine Tartrate SCHEMBL31122127 0.91 CHEK1 (0.42) HTR2BCHEK1CYP2C19ACHECYP2C9
Cadaverine Tartrate SCHEMBL31122154 0.91 CHEK1 (0.42) HTR2BCHEK1CYP2C19ACHECYP2C9
SCHEMBL3952859 0.86 ALDH1A1 (0.54) CHEK1ACHEALDH1A1HPGDSDNM1L
Citric Acid SCHEMBL31122150 0.85 CHEK1 (0.41) HTR2BCHEK1CYP2C19ACHECYP2C9
SCHEMBL31122153 0.85 CHEK1 (0.48) HTR2BCHEK1CYP2C19ACHECYP2C9
SCHEMBL31122128 0.83 CHEK1 (0.47) CHEK1ALDH1A1HPGDSDNM1LGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382470-A1 Irak Inhibitor for Treating Cytokine Release-Related Conditions Associated With Infection by a Respiratory Virus RIGEL PHARMACEUTICALS INC (US) 2024-11-21 — — US claimed
US-20240174679-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-30 — — US claimed
EP-3331879-A1 BENZAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2018-06-13 — — EP claimed
WO-2017023941-A1 BENZAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2017-02-09 — — WO claimed
EP-2632263-A1 NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP claimed
WO-2012058174-A1 NOVEL THIAZOLE-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS SCHERING CORPORATION (US) 2012-05-03 — — WO claimed
US-20250326778-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2025-10-23 — — US disclosed
EP-4536664-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene, Ltd. (KY) 2025-04-16 — — EP disclosed
CN-119403805-A Degradation of IRAK4 by conjugation of IRAK4 inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2025-02-07 — — CN disclosed
CN-118510771-A IRAK inhibitors for the treatment of conditions associated with cytokine release associated with respiratory viral infection 里格尔药品股份有限公司 2024-08-16 — — CN disclosed
EP-4308115-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2024-01-24 — — EP disclosed
WO-2023237049-A1 DEGRADATION OF IRAK4 BY CONJUGATION OF IRAK4 INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-12-14 — — WO disclosed
WO-2023089074-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS Samsara Therapeutics Inc. (US) 2023-05-25 — — WO disclosed
WO-2022187303-A1 A METHOD FOR TREATING A DISEASE OR CONDITION USING A PYRAZOLE COMPOUND OR FORMULATION THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2022-09-09 — — WO disclosed
US-11370808-B2 Pyrazole compounds and methods for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-06-28 — — US disclosed
CN-114364674-A Pyrazole compounds, formulations thereof, and methods of using the compounds and/or formulations 里格尔药品股份有限公司 2022-04-15 — — CN disclosed
EP-3331879-A1 BENZAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2018-06-13 — — EP disclosed
WO-2017023941-A1 BENZAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2017-02-09 — — WO disclosed
EP-2632462-A1 NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 — — EP disclosed
WO-2012058176-A1 NOVEL HETEROARYL-CARBOXAMIDE DERIVATIVES AS PDK1 INHIBITORS SCHERING CORPORATION (US) 2012-05-03 — — 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-20240174679-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 HTR2B 1545/4885CHEK1 303/4885CYP2C19 2425/4885
US-11370808-B2 Pyrazole compounds and methods for making and using the compounds IRAK3, IRAK1, IRAK2 HTR2B 4109/4885CHEK1 372/4885CYP2C19 3231/4885
US-20250326778-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 HTR2B 4061/4885CHEK1 414/4885CYP2C19 3083/4885
US-20240382470-A1 Irak Inhibitor for Treating Cytokine Release-Related Conditions Associated With Infection by a Respiratory Virus IRAK1, IRAK4, IRAK2 HTR2B 1804/4885CHEK1 1571/4885CYP2C19 403/4885

“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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