SCHEMBL1475663

SCHEMBL1475663

CC(C(=O)O)c1cncc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48
▸ PTGS2 P35354 4/20 0.43
▸ HTT P42858 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ MAPT P10636 4/20 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
SCHEMBL31357332 1.00 POLB (0.48) POLBHCAR2PTGS2HTTALOX15
Hydrochloric Acid SCHEMBL28523269 0.98 POLB (0.47) POLBHCAR2PTGS2HTTALOX15
SCHEMBL27580211 0.87 POLB (0.46) POLBHCAR2HTTALOX15MEN1
SCHEMBL16195618 0.84 POLB (0.43) POLBHCAR2HTTALOX15MEN1
SCHEMBL16751894 0.82 POLB (0.46) POLBHCAR2HTTALOX15CASP3
SCHEMBL749046 0.81 PTGS1 (0.41) POLBHCAR2PTGS2HTTMEN1
SCHEMBL26698325 0.79 HCAR2 (0.50) HCAR2PTGS2LMNAHPGDALDH1A1
SCHEMBL2600676 0.79 POLB (0.50) POLBHCAR2HTTALOX15CASP3
SCHEMBL29852325 0.79 HCAR2 (0.50) HCAR2PTGS2LMNAHPGDALDH1A1
SCHEMBL5916145 0.78 PTGS2 (0.45) PTGS2MEN1KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof YUNGJIN PHARM. CO., LTD. (KR) 2024-10-08 — — US disclosed
EP-3853225-B1 N-(5-(3-(1-((THIAZOL-2-YL)AMINO)-1-OXOPROPAN-2-YL)PHENYL)PYRIDIN-2-YL)ACRYLAMIDE DERIVATIVES AS CDK7 INHIBITORS FOR THE TREATMENT OF CANCER YUNGJIN PHARMACEUTICAL CO LTD (KR) 2023-11-29 — — EP disclosed
EP-3853225-B1 N-(5-(3-(1-((THIAZOL-2-YL)AMINO)-1-OXOPROPAN-2-YL)PHENYL)PYRIDIN-2-YL)ACRYLAMIDE DERIVATIVES AS CDK7 INHIBITORS FOR THE TREATMENT OF CANCER YUNGJIN PHARMACEUTICAL CO LTD (KR) 2023-11-29 — — EP disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 — — US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 — — US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 — — US disclosed
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 — — US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 — — US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 — — EP disclosed
US-20210284658-A1 NOVEL THIAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF YUNGJIN PHARM. CO., LTD. (KR) 2021-09-16 — — US disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
WO-2010136128-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — WO disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 — — US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 — — EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 — — US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 — — US disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 — — CN 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 (8 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-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT POLB 1433/4885HCAR2 2065/4885PTGS2 1596/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 POLB 4606/4885HCAR2 148/4885PTGS2 2286/4885
US-20210284658-A1 NOVEL THIAZOLE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CDKL1, CDKL3, CDKL2 POLB 2178/4885HCAR2 3860/4885PTGS2 2019/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT POLB 1167/4885HCAR2 2341/4885PTGS2 2258/4885
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof CDKL1, CDK4, CDKL3 POLB 2213/4885HCAR2 4050/4885PTGS2 2023/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT POLB 1433/4885HCAR2 2065/4885PTGS2 1596/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 POLB 4606/4885HCAR2 148/4885PTGS2 2286/4885
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 POLB 2134/4885HCAR2 470/4885PTGS2 965/4885

“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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