SCHEMBL5121295

SCHEMBL5121295

Cc1ncc(C(C)(C)C)s1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.40
▸ PDPK1 O15530 1/20 0.32
▸ NOS1 P29475 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL21389734 0.83 HCAR2 (0.39) HCAR2NOS1
SCHEMBL13886980 0.81 HCAR2 (0.42) HCAR2
SCHEMBL21209899 0.81 HCAR2 (0.38) HCAR2
SCHEMBL12058917 0.78 HCAR2 (0.39) HCAR2NOS1
SCHEMBL26859096 0.78 HCAR2 (0.35) HCAR2
SCHEMBL21610733 0.78 HCAR2 (0.35) HCAR2
SCHEMBL26858880 0.78 HCAR2 (0.35) HCAR2NOS1
SCHEMBL12737784 0.77 PDPK1 (0.32) PDPK1
SCHEMBL1754099 0.75 SLC6A3 (0.36) PDPK1
SCHEMBL1774876 0.75 PDPK1 (0.32) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-07-18 — — US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 — — US disclosed
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 — — EP disclosed
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-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 — — US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 — — US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 — — US disclosed
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 — — WO disclosed
EP-4289427-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR. Anagenesis Biotechnologies (FR) 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-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 — — US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 — — US disclosed
US-7449486-B2 Antiproliferative agents; anticancer agents; autoimmune disease; antiarthritic agents; graft versus host disease; inflammatory bowel disorders ARRAY BIOPHARMA INC. (US) 2008-11-11 — — US disclosed
US-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-16 — — US disclosed
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents ARRAY BIOPHARMA, INC. 2008-07-31 — — US disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 — — US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 — — US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 — — US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 — — US disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 — — 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 HCAR2 1862/4885PDPK1 1499/4885NOS1 3506/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT HCAR2 19/4885PDPK1 3101/4885NOS1 4284/4885
US-20080182992-A1 Antiproliferative agents; anticancer agents; antiinflammatry agents; restenosis; graft versus host disease; autoimmune disease; antiarthritic agents KIF5B, KIF2C, KIFC1 HCAR2 2308/4885PDPK1 495/4885NOS1 2455/4885
US-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 HCAR2 89/4885PDPK1 1386/4885NOS1 3120/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 HCAR2 154/4885PDPK1 1615/4885NOS1 2/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 HCAR2 279/4885PDPK1 4635/4885NOS1 4091/4885
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS M6PR, ASGR1, IGF2R HCAR2 1252/4885PDPK1 2074/4885NOS1 4338/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 HCAR2 2272/4885PDPK1 2670/4885NOS1 4412/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 HCAR2 3266/4885PDPK1 1201/4885NOS1 434/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET HCAR2 1403/4885PDPK1 446/4885NOS1 2974/4885

“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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