SCHEMBL958367

SCHEMBL958367

Clc1cccc(OC2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
BRD4 O60885 1/20 0.41
FFAR4 Q5NUL3 4/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
IDH1 O75874 1/20 0.38
S1PR1 P21453 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIM1 P11309 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
PIM3 Q86V86 2/20 0.37
HTR3E A5X5Y0 1/20 0.36
MEN1 O00255 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL16333901 0.98 MCHR1 (0.43) MCHR1BRD4FFAR4LOXLOXL2
SCHEMBL16334168 0.95 FFAR4 (0.40) MCHR1BRD4FFAR4LOXLOXL2
SCHEMBL4674505 0.84 IDH1 (0.37) MCHR1BRD4FFAR4IDH1SLC6A2
SCHEMBL19510896 0.83 CACNB4 (0.39) MCHR1BRD4FFAR4IDH1SLC6A2
SCHEMBL4674512 0.83 MEN1 (0.50) BRD4SLC6A2SLC6A4PIM1PIM2
Hydrochloric Acid SCHEMBL69091 0.81 MEN1 (0.49) BRD4SLC6A2SLC6A4PIM1PIM2
Hydrochloric Acid SCHEMBL5341732 0.81 MEN1 (0.49) BRD4SLC6A2SLC6A4PIM1PIM2
SCHEMBL4503237 0.80 HTR3E (0.47) SLC6A2KCNH2HTR3EHTR3BCYP2D6
SCHEMBL29495639 0.80 HTR3E (0.47) SLC6A2KCNH2HTR3EHTR3BCYP2D6
SCHEMBL31581118 0.79 MCHR1 (0.42) MCHR1BRD4FFAR4LOXLOXL2

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 8 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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 (3 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 3889/4885BRD4 596/4885FFAR4 2592/4885
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 MCHR1 317/4885BRD4 321/4885FFAR4 233/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MCHR1 3889/4885BRD4 596/4885FFAR4 2592/4885

“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.