Sugi Predict

Sugi Predict / Compounds / SCHEMBL168694

SCHEMBL168694

SCHEMBL168694

NC(=O)c1cc(F)cnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 9/20 0.42
▸ NNMT P40261 1/20 0.41
▸ PARP1 P09874 2/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL290570 0.82 KEAP1 (0.53) CASP1SCN5ASCN9A
SCHEMBL27598069 0.82 KEAP1 (0.53) CASP1SCN5ASCN9A
SCHEMBL31349524 0.82 KEAP1 (0.53) CASP1SCN5ASCN9A
SCHEMBL8357219 0.82 SCN5A (0.36) SCN5ASCN9A
SCHEMBL4966985 0.82 ALDH1A1 (0.36) SCN5ASCN9A
SCHEMBL28777473 0.81 HPGDS (0.42) CASP1NNMTPARP1HPGDSMAP4K4
SCHEMBL256606 0.81 SCN5A (0.31) SCN5ASCN9A
SCHEMBL9928617 0.81 AGBL2 (0.39) NNMTSCN5ASCN9A
SCHEMBL20010499 0.80 OPRK1 (0.35) JAK2SCN5ASCN9A
SCHEMBL4016084 0.80 CASP1 (0.46) CASP1NNMTSIRT6MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101343366-A Nano-laminal compound with regular array of pyridine and its derivant, and preparation thereof UNIV SHANGHAI (CN) 2009-01-14 — — CN claimed
US-12064429-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2024-08-20 — — US disclosed
CN-117567461-A Preparation method of vitamin Li Xigu intermediate 佛山奕安赛医药科技有限公司 2024-02-20 — — CN disclosed
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF CHIA TAL TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-17 — — US disclosed
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF CHIA TAL TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-17 — — US disclosed
US-20220409618-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE ADVERIO PHARMA GMBH (DE) 2022-12-29 — — US disclosed
US-20220409618-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE ADVERIO PHARMA GMBH (DE) 2022-12-29 — — US disclosed
US-11439642-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use ADVERIO PHARMA GMBH (DE) 2022-09-13 — — US disclosed
WO-2022187520-A1 SUBSTITUTED 3-PIPERIDINYL-PYRAZOLO[3,4-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-09-09 — — WO disclosed
CN-108690016-B Pyrazolopyridines and uses thereof 广东东阳光药业有限公司 2022-08-12 — — CN disclosed
WO-2007021574-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 — — WO disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 — — EP disclosed
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. 2006-11-09 — — US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 — — US disclosed
EP-1625123-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-02-15 — — EP disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 — — WO disclosed
WO-2004103279-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-12-02 — — WO disclosed
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 — — 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 (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-12064429-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use PFKP, PON1, FABP3 CASP1 482/4885NNMT 681/4885PARP1 569/4885
US-11439642-B2 Substituted 5-fluoro-1H-pyrazolopyridines and their use PFKP, PON1, FABP3 CASP1 482/4885NNMT 681/4885PARP1 569/4885
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF TYMP, TYMS, DPYD CASP1 2139/4885NNMT 205/4885PARP1 424/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CASP1 636/4885NNMT 1677/4885PARP1 3926/4885
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists S1PR1, S1PR3, S1PR5 CASP1 1572/4885NNMT 3824/4885PARP1 2186/4885
US-20220409618-A1 SUBSTITUTED 5-FLUORO-1H-PYRAZOLOPYRIDINES AND THEIR USE PFKP, PON1, FABP3 CASP1 482/4885NNMT 681/4885PARP1 569/4885
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists GRM5, GRM1, GRIN1 CASP1 2306/4885NNMT 1825/4885PARP1 2901/4885

“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.