SCHEMBL84076

SCHEMBL84076

CC(=O)Nc1cc(C(C)C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
MAPKAPK2 P49137 1/20 0.49
PIK3C3 Q8NEB9 12/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
BRAF P15056 2/20 0.47
CSNK1D P48730 1/20 0.46
MAPK14 Q16539 1/20 0.46
AAK1 Q2M2I8 1/20 0.45

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
SCHEMBL21078952 0.87 AAK1 (0.49) L3MBTL1MAPKAPK2PIK3C3JAK2JAK1
SCHEMBL15358566 0.87 AAK1 (0.49) L3MBTL1MAPKAPK2PIK3C3JAK2JAK1
SCHEMBL6951836 0.85 MAPKAPK2 (0.49) L3MBTL1MAPKAPK2PIK3C3JAK2JAK1
Hydrochloric Acid SCHEMBL15350524 0.85 AAK1 (0.48) L3MBTL1MAPKAPK2PIK3C3JAK2JAK1
SCHEMBL15627415 0.85 TYK2 (0.52) TYK2BRAF
SCHEMBL20889610 0.85 NR3C2 (0.57)
SCHEMBL20016547 0.84 L3MBTL1 (0.46) L3MBTL1MAPKAPK2PIK3C3JAK2JAK1
SCHEMBL25591169 0.83 JAK2 (0.49) PIK3C3JAK2JAK1TYK2AAK1
SCHEMBL12230269 0.83 GCK (0.54) BRAF
SCHEMBL25714776 0.83 RIOK2 (0.45) TYK2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 US disclosed
WO-2023009708-A1 HETEROARYLOXY TRIAZOLO- AND IMIDAZO-AZINES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
WO-2023009709-A1 PYRAZOLO PIPERAZINES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (9 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 L3MBTL1 3606/4885MAPKAPK2 1850/4885PIK3C3 2931/4885
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 L3MBTL1 4099/4885MAPKAPK2 1194/4885PIK3C3 4837/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF L3MBTL1 1038/4885MAPKAPK2 44/4885PIK3C3 40/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF L3MBTL1 1038/4885MAPKAPK2 44/4885PIK3C3 40/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 L3MBTL1 3606/4885MAPKAPK2 1850/4885PIK3C3 2931/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 L3MBTL1 3606/4885MAPKAPK2 1850/4885PIK3C3 2931/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS L3MBTL1 1865/4885MAPKAPK2 144/4885PIK3C3 121/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS L3MBTL1 3616/4885MAPKAPK2 2887/4885PIK3C3 937/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 L3MBTL1 3571/4885MAPKAPK2 53/4885PIK3C3 176/4885

“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.