SCHEMBL3587274

SCHEMBL3587274

COc1nc(N)nc2c1CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
NUDT1 P36639 1/20 0.54
HRH2 P25021 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ACHE P22303 9/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
BPTF Q12830 1/20 0.47
HTR2C P28335 1/20 0.45
TUBB3 Q13509 1/20 0.42
BCHE P06276 4/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
HRH4 Q9H3N8 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CHRM1 P11229 1/20 0.40
CCNA2 P20248 1/20 0.39

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
SCHEMBL7314262 0.96 KDM4E (0.60) KDM4ENUDT1HRH2HRH3ACHE
SCHEMBL2929877 0.79 NUDT1 (0.61) KDM4ENUDT1HRH2HRH3ACHE
SCHEMBL23599720 0.78 HTR2C (0.46) KDM4ENUDT1HRH2HRH3ACHE
SCHEMBL30598372 0.78 TUBB3 (0.49) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL26114011 0.76 TUBB3 (0.48) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL31333062 0.76 HTR2C (0.45) KDM4ENUDT1HRH2HRH3ACHE
SCHEMBL9886276 0.75 KDM4E (0.92) KDM4ENUDT1HRH2HRH3ACHE
SCHEMBL29661474 0.74 KDM4E (0.57) KDM4ENUDT1HRH2HRH3ACHE
SCHEMBL513565 0.74 KDM4E (0.57) KDM4ENUDT1HRH2HRH3ACHE
SCHEMBL8099775 0.73 KMT2A (0.48) KDM4EACHEMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 WO disclosed
US-4746358-A PLANT GROWTH REGULATORS, HERBICIDES; N-TRIAZINYL-AMINOCARBONYL -1,4-BENZODIOXANESULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-24 US disclosed
US-4425153-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS & CO. (US) 1984-01-10 US disclosed
EP-0082681-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-06-29 EP disclosed
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
US-4370480-A Herbicidal ureas and isoureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
EP-0057546-A2 Sulfonylurea N-oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-11 EP disclosed
US-4339267-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
EP-0030139-A2 Herbicidal ureas and isoureas, preparation and use thereof, and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed
EP-0015683-A1 Herbicidal sulfonamides, and preparation and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-17 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 (4 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 KDM4E 1977/4885NUDT1 1109/4885HRH2 2571/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP KDM4E 1243/4885NUDT1 1939/4885HRH2 2499/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP KDM4E 1243/4885NUDT1 1939/4885HRH2 2499/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP KDM4E 1360/4885NUDT1 2062/4885HRH2 2474/4885

“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.