SCHEMBL2144204

SCHEMBL2144204

CC(C)(C)C(=O)Nc1cccc(C(O)C2CCOC2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
BRAF P15056 1/20 0.36
HPGD P15428 1/20 0.36
ADORA1 P30542 2/20 0.35
TMIGD3 P0DMS9 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1F P30939 1/20 0.34
GRM5 P41594 2/20 0.34
MAP3K5 Q99683 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
CNR2 P34972 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL966489 0.75 SMN1; SMN2 (0.44) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2144036 0.74 HTR1F (0.43) HPGDADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3928437 0.74 FFAR4 (0.40) IRAK4BRAFHPGDADORA1TMIGD3
SCHEMBL2144729 0.74 GRM5 (0.39) IRAK4HPGDADORA1CYP1A2CYP3A4
SCHEMBL5474017 0.73 SMN1; SMN2 (0.45) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6484229 0.72 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL964808 0.71 SMN1; SMN2 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6027438 0.71 ADORA1 (0.54) BRAFHPGDADORA1TMIGD3CYP1A2
SCHEMBL921576 0.71 L3MBTL1 (0.54) HPGDADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL22519189 0.67 TP53 (0.44) KDM4EMAPK1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IRAK4 36/4885BRAF 151/4885HPGD 1179/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 IRAK4 36/4885BRAF 151/4885HPGD 1179/4885

“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.