SCHEMBL10121063

SCHEMBL10121063

CC(C)c1ccc(C#N)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KIF11 P52732 1/20 0.36
PANK3 Q9H999 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
EGLN2 Q96KS0 3/20 0.35
HDAC8 Q9BY41 1/20 0.34
PDE2A O00408 1/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
GPR6 P46095 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL27485765 0.85 GAA (0.35) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL26620466 0.85 PDE2A (0.51) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL29098016 0.85 PDE2A (0.39) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL30199155 0.85 PDE2A (0.39) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL29098018 0.85 PDE2A (0.39) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL30937752 0.85 PDE2A (0.51) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL29098047 0.85 PDE2A (0.39) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL30200169 0.85 PDE2A (0.39) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL2693324 0.84 GAA (0.40) GAASMN1; SMN2CYP2A6ALDH1A1KIF11
SCHEMBL18552812 0.82 CYP2A6 (0.37) GAASMN1; SMN2CYP2A6FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024507-B2 Compounds as GLP-1R agonists TERNS PHARMACEUTICALS, INC. (US) 2024-07-02 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 US disclosed
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-11-23 US disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
EP-4265599-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-10-25 EP disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
EP-2314599-A1 Glycopeptide antibiotic monomer derivatives National University Corporation Nagoya University (JP) 2011-04-27 EP disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
EP-1818340-A1 GLYCOPEPTIDE ANTIBIOTIC MONOMER DERIVATIVES National University Corporation Nagoya University (JP) 2007-08-15 EP disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US 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 (11 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 GAA 121/4885SMN1; SMN2 498/4885CYP2A6 4456/4885
US-12024507-B2 Compounds as GLP-1R agonists GLP1R, GIPR, GCGR GAA 586/4885SMN1; SMN2 2563/4885CYP2A6 3667/4885
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 GAA 723/4885SMN1; SMN2 1828/4885CYP2A6 3022/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 GAA 1962/4885SMN1; SMN2 1813/4885CYP2A6 833/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 GAA 4524/4885SMN1; SMN2 3882/4885CYP2A6 2953/4885
US-11858918-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 GAA 1038/4885SMN1; SMN2 1956/4885CYP2A6 4115/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GAA 4364/4885SMN1; SMN2 3741/4885CYP2A6 2442/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GAA 4364/4885SMN1; SMN2 3741/4885CYP2A6 2442/4885
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR GAA 586/4885SMN1; SMN2 2563/4885CYP2A6 3667/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GAA 2339/4885SMN1; SMN2 2318/4885CYP2A6 4288/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 GAA 1095/4885SMN1; SMN2 3927/4885CYP2A6 580/4885

“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.