SCHEMBL179265

SCHEMBL179265

Cc1ccncc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 2/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2E1 P05181 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C8 P10632 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2A6 P11509 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2B6 P20813 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP17A1 P05093 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34

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
SCHEMBL682267 0.81 TRPA1 (0.37) SIRT3TDP1KIF11CYP1A2CYP2E1
SCHEMBL1705592 0.80 KIF11 (0.39) TDP1KIF11ALOX5PTGS1PTGS2
SCHEMBL1310290 0.79 CYP17A1 (0.44) SIRT3TDP1KIF11CYP1A2CYP17A1
SCHEMBL29497402 0.79 CYP17A1 (0.44) SIRT3TDP1KIF11CYP1A2CYP17A1
SCHEMBL22215328 0.79 SIRT3 (0.36) SIRT3TDP1CYP1A2CYP2E1CYP3A4
SCHEMBL16477946 0.79 SIRT3 (0.36) SIRT3TDP1CYP1A2CYP2E1CYP3A4
Ammonia Solution, Strong SCHEMBL29243690 0.77 CYP17A1 (0.43) SIRT3TDP1KIF11CYP1A2CYP17A1
SCHEMBL30493966 0.76 SIRT3 (0.37) SIRT3TDP1CYP1A2CYP2E1CYP3A4
SCHEMBL19185523 0.76 TDP1 (0.34) SIRT3TDP1CYP1A2CYP2E1CYP3A4
SCHEMBL11955155 0.74 GAA (0.41) KIF11CYP3A4ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
CN-117580826-A NLRP3 inflammation corpuscle inhibitor 阿斯利康(瑞典)有限公司 2024-02-20 CN disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-5795870-A STEROID RING WITH AMINE GROUP SIDE CHAINS TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-08-18 US disclosed
EP-0756601-A1 COMPOSITIONS AND METHODS FOR CELL TRANSFORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-02-05 EP disclosed
WO-1995029186-A1 COMPOSITIONS AND METHODS FOR CELL TRANSFORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1995-11-02 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 (10 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-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 SIRT3 411/4885TDP1 3424/4885KIF11 4462/4885
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 SIRT3 700/4885TDP1 295/4885KIF11 3719/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT SIRT3 2975/4885TDP1 2056/4885KIF11 4429/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH SIRT3 2771/4885TDP1 2992/4885KIF11 4772/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 SIRT3 3183/4885TDP1 3111/4885KIF11 4336/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD SIRT3 1836/4885TDP1 1022/4885KIF11 3516/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 SIRT3 1956/4885TDP1 4312/4885KIF11 4681/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 SIRT3 1427/4885TDP1 4499/4885KIF11 4325/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB SIRT3 2608/4885TDP1 1090/4885KIF11 2054/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 SIRT3 4462/4885TDP1 2917/4885KIF11 4542/4885

“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.