SCHEMBL4616571

SCHEMBL4616571

COc1nc(N)nc(N(C(C)C)C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
MTOR P42345 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
Prometon SCHEMBL9711318 0.86 TP53 (0.43) TP53POLBGAATSHRHTT
SCHEMBL28114494 0.81 GAA (0.37) GAA
SCHEMBL1576854 0.78 RECQL (0.44) POLBGAATSHRHTTHSD17B10
SCHEMBL13759041 0.74 L3MBTL1 (0.41) TP53POLBGAATSHRALDH1A1
SCHEMBL138352 0.73 HSD17B10 (0.44) TP53POLBGAATSHRHTT
SCHEMBL1576395 0.73 TSHR (0.44) TP53POLBGAATSHRHTT
SCHEMBL3262195 0.72 PDE4A (0.41) GAA
SCHEMBL9186220 0.69 HRH4 (0.41) TP53POLBGAATSHRHTT
SCHEMBL2490994 0.69 HSP90AB1 (0.48) HSD17B10
SCHEMBL1577050 0.69 HSP90AA1 (0.50) TP53POLBGAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081762-A1 SUBSTITUTED 5-MEMBERED RINGS AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2024-04-18 WO disclosed
US-20240124709-A1 COMPOSITION, POLYMER COMPOSITE ARTICLE FORMED THEREWITH, AND METHOD OF PREPARING SAME DOW GLOBAL TECHNOLOGIES LLC 2024-04-18 US disclosed
WO-2024031002-A1 (2,4-DICHLOROPHENOXY)ACETIC ACID ANALOGS CORTEVA AGRISCIENCE LLC (US) 2024-02-08 WO disclosed
CN-111433275-B Composition, polymer composite article formed therewith, and method of making the same 美国陶氏有机硅公司 2023-07-25 CN disclosed
CN-112955011-B Compositions comprising pyridine carboxylic acid herbicides with photosystem II and optionally HPPD inhibitor herbicides 科迪华农业科技有限责任公司 2023-06-02 CN disclosed
CN-113272364-B Silicone-polyacrylate copolymers, sealants including silicone-polyacrylate copolymers, and related methods 美国陶氏有机硅公司 2023-03-24 CN disclosed
CN-113272363-B Silicone-organic copolymers, sealants including silicone-organic copolymers, and related methods 美国陶氏有机硅公司 2023-02-17 CN disclosed
CN-111630103-B Composition, polymer composite article formed therewith, and method of making same 美国陶氏有机硅公司 2022-10-28 CN disclosed
CN-113272362-B Silicone-polyester copolymers, sealants including silicone-polyester copolymers, and related methods 美国陶氏有机硅公司 2022-06-17 CN disclosed
CN-113195594-B Silicone-polycarbonate copolymers, sealants including silicone-polycarbonate copolymers, and related methods 美国陶氏有机硅公司 2022-03-29 CN disclosed
EP-2691175-A1 COMPOSITIONS CONTAINING PHOSPHONATE CATALYSTS AND METHODS FOR THE PREPARATION AND USE OF THE COMPOSITIONS Dow Corning Corporation (US) 2014-02-05 EP disclosed
US-20140018467-A1 COMPOSITIONS CONTAINING SULFONIC ACID CATALYSTS AND METHODS FOR THE PREPARATION AND USE OF THE COMPOSITIONS DOW CORNING CORPORATION (US) 2014-01-16 US disclosed
WO-2012134784-A1 COMPOSITIONS CONTAINING PHOSPHONATE CATALYSTS AND METHODS FOR THE PREPARATION AND USE OF THE COMPOSITIONS DOW CORNING CORPORATION (US) 2012-10-04 WO disclosed
WO-2012134788-A1 COMPOSITIONS CONTAINING PHOSPHATE CATALYSTS AND METHODS FOR THE PREPARATION AND USE OF THE COMPOSITIONS DOW CORNING CORPORATION (US) 2012-10-04 WO disclosed
US-8236729-B2 Synergistic mixtures BAYER CROPSCIENCE AG (DE) 2012-08-07 US disclosed
US-20080118734-A1 Coating Compositions DOW CORNING IRELAND LTD. (IE) 2008-05-22 US disclosed
EP-1771071-B1 HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2008-02-27 EP disclosed
US-20070207928-A1 Oil-in-water suspoemulsions comprising hydroxybenzonitriles which are active in plants BAYER CROPSCIENCE GMBH (DE) 2007-09-06 US disclosed
US-20060019829-A1 Herbicidal compositions BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-26 US disclosed
US-20060014642-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH 2006-01-19 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 (2 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-20060019829-A1 Herbicidal compositions HDHD5, CBR3, ATL3 TP53 4559/4885POLB 3693/4885GAA 2010/4885
US-20060014642-A1 Herbicidal compositions HDHD5, CBR3, ATL3 TP53 4536/4885POLB 3679/4885GAA 1853/4885

“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.