SCHEMBL443058

SCHEMBL443058

Cn1cnc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.39
MTOR P42345 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
LRRK2 Q5S007 1/20 0.31
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
SCHEMBL14037264 0.81 CYP2C19 (0.36) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL18871348 0.81 CYP2C9 (0.36) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL2611129 0.78 TSHR (0.39) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL24311782 0.78 CYP2C9 (0.34) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13944416 0.78 CYP2C9 (0.38) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL25015250 0.78 CYP2C9 (0.38) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL14415969 0.76 CYP2C9 (0.46) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13563919 0.76 TSHR (0.33) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL13563924 0.74 CYP2C9 (0.36) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL1045230 0.74 CYP2C9 (0.36) CYP2C9CYP2C19TSHRMTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368586-A1 PROCESSES FOR CONVERTING UNSATURATED POLYETHYLENE TO ALKENE PRODUCTS DOW GLOBAL TECHNOLOGIES LLC (US) 2025-12-04 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-07-04 US 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
WO-2024044713-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-02-29 WO disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-6627758-B2 Ligand including (i) at least two different types of heteroatoms selected from nitrogen, phosphorus, and sulfur, and (ii) at least one of imidazole, pyrazole, and pyridine; transition metal complex for carbonylation to aldehyde SAN DIEGO STATE UNIVERSITY FOUNDATION 2003-09-30 US disclosed
WO-2002066425-A2 COMPOSITIONS AND METHODS FOR HYDRATION OF TERMINAL ALKYNES SAN DIEGO STATE UNIVERSITY FOUNDATION (US) 2002-08-29 WO disclosed
US-20020115860-A1 Compositions and methods for hydration of terminal alkynes SAN DIEGO STATE UNIVERSITY FOUNDATION (US) 2002-08-22 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 CYP2C9 16/4885CYP2C19 20/4885TSHR 1354/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC CYP2C9 712/4885CYP2C19 426/4885TSHR 287/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CYP2C9 4700/4885CYP2C19 4848/4885TSHR 3589/4885
US-20020115860-A1 Compositions and methods for hydration of terminal alkynes CYCS, MYB, POLN CYP2C9 3345/4885CYP2C19 2295/4885TSHR 4483/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CYP2C9 4759/4885CYP2C19 4590/4885TSHR 396/4885
US-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS CYP2C9 4043/4885CYP2C19 4000/4885TSHR 3476/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CYP2C9 4358/4885CYP2C19 4235/4885TSHR 1253/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL CYP2C9 14/4885CYP2C19 11/4885TSHR 2105/4885
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS PNLIP, LIPA, PHOSPHO1 CYP2C9 3783/4885CYP2C19 4004/4885TSHR 2016/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CYP2C9 10/4885CYP2C19 20/4885TSHR 728/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET CYP2C9 4358/4885CYP2C19 4235/4885TSHR 1253/4885

“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.