SCHEMBL2144242

SCHEMBL2144242

Nc1cccc(OC2CCCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.56
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
BRD4 O60885 1/20 0.41
PIM1 P11309 3/20 0.41
PIM3 Q86V86 3/20 0.41
PIM2 Q9P1W9 3/20 0.41
FFAR4 Q5NUL3 2/20 0.40
JAK3 P52333 2/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL23106989 0.98 MCHR1 (0.54) MCHR1LOXLOXL2BRD4PIM1
SCHEMBL4065515 0.95 MCHR1 (0.50) MCHR1LOXLOXL2BRD4PIM1
SCHEMBL38659372 0.91 MCHR1 (0.46) MCHR1PIM1PIM3PIM2FFAR4
SCHEMBL4515306 0.83 HRH1 (0.47) MCHR1BRD4PIM1PIM2SLC6A2
SCHEMBL31118706 0.83 DHFR (0.41) MCHR1SLC6A2SLC6A4KCNH2
SCHEMBL4494704 0.80 NOS3 (0.50) MCHR1SLC6A2KCNH2
SCHEMBL31118567 0.79 MCHR1 (0.39) MCHR1PIM1PIM3PIM2SLC6A2
SCHEMBL31581118 0.79 MCHR1 (0.42) MCHR1LOXLOXL2BRD4PIM1
SCHEMBL958367 0.79 MCHR1 (0.45) MCHR1LOXLOXL2BRD4PIM1
SCHEMBL4263 0.79 MCHR1 (0.42) MCHR1LOXLOXL2BRD4PIM1

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 MCHR1 3889/4885LOX 802/4885LOXL2 1129/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MCHR1 3889/4885LOX 802/4885LOXL2 1129/4885

“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.