SCHEMBL2144036

SCHEMBL2144036

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.43
CHRM5 P08912 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
OPRK1 P41145 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HPGD P15428 1/20 0.40
PIP5K1C O60331 5/20 0.39
PIK3CA P42336 5/20 0.39
GRM5 P41594 5/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.38
PIP5K1B O14986 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL22861503 0.80 HTR1F (0.67) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL29581460 0.80 HTR1F (0.67) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL2144729 0.75 GRM5 (0.39) HTR1FHPGDGRM5KDM4ECNR2
SCHEMBL2144204 0.74 IRAK4 (0.37) HTR1FHPGDPIP5K1CPIK3CAGRM5
SCHEMBL18575633 0.73 KDM4E (0.68) GRM5KDM4ELMNAADORA1CYP1A2
SCHEMBL921576 0.72 L3MBTL1 (0.54) HPGDKDM4ELMNAADORA1CYP1A2
SCHEMBL6027438 0.70 ADORA1 (0.54) HTR1FHPGDCNR2ADORA1CYP1A2
SCHEMBL30485981 0.67 RAB9A (0.68) GRM5
SCHEMBL19718960 0.67 ADORA1 (0.48) KDM4ELMNAADORA1CYP1A2CYP3A4
SCHEMBL126159 0.67 RAB9A (0.68) GRM5

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 HTR1F 1484/4885CHRM5 3968/4885DRD5 4364/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 HTR1F 1484/4885CHRM5 3968/4885DRD5 4364/4885

“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.