SCHEMBL6984886

SCHEMBL6984886

Cn1cncc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
IDO1 P14902 3/20 0.34
HPGDS O60760 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LDLR P01130 1/20 0.30
PCSK9 Q8NBP7 1/20 0.30

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
SCHEMBL14253917 0.78 CYP17A1 (0.34) CYP17A1CYP3A4IDO1
SCHEMBL13813431 0.78 CYP3A4 (0.34) CYP17A1CYP3A4IDO1
SCHEMBL14253920 0.76 RORC (0.32) CYP17A1CYP3A4
SCHEMBL14253919 0.74 RORC (0.33) CYP17A1CYP3A4
SCHEMBL6762412 0.73 TDP1 (0.34) ALDH1A1NPSR1
SCHEMBL9944600 0.73 ALDH1A1 (0.30) ALDH1A1NPSR1
SCHEMBL25289009 0.73 CYP17A1 (0.43) CYP17A1CYP3A4IDO1ALDH1A1
SCHEMBL20847874 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21672760 0.70 TBXAS1 (0.31)
SCHEMBL6832144 0.70 CYP19A1 (0.35) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-11858916-B2 GLP-1 receptor agonists and uses thereof PFIZER INC. (US) 2024-01-02 US disclosed
EP-4289833-A1 TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-13 EP 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-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070135464-A1 Antiinflammation agents AMGEN, INC. 2007-06-14 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
EP-0007672-A1 Isocyanoalkenes, process and useful intermediates for their preparation, pharmaceutical and fungicidal preparations containing those isocyanoalkenes and the use of the fungicidal preparations in agriculture GIST-BROCADES N.V. (NL) 1980-02-06 EP 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-20070135464-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CYP17A1 2025/4885CYP3A4 2060/4885IDO1 575/4885
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 CYP17A1 641/4885CYP3A4 46/4885IDO1 1193/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT CYP17A1 1406/4885CYP3A4 1402/4885IDO1 8/4885
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 CYP17A1 3982/4885CYP3A4 1108/4885IDO1 265/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CYP17A1 2281/4885CYP3A4 4279/4885IDO1 4238/4885
US-11858916-B2 GLP-1 receptor agonists and uses thereof GLP1R, GIPR, GCGR CYP17A1 3206/4885CYP3A4 2074/4885IDO1 2393/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CYP17A1 4078/4885CYP3A4 3770/4885IDO1 3280/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 CYP17A1 985/4885CYP3A4 129/4885IDO1 1752/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL CYP17A1 91/4885CYP3A4 68/4885IDO1 2823/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 CYP17A1 1103/4885CYP3A4 244/4885IDO1 2121/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 CYP17A1 1994/4885CYP3A4 2488/4885IDO1 3700/4885

“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.