SCHEMBL2144121

SCHEMBL2144121

Nc1cccc(CCC2CCNCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.43
NOS3 P29474 2/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
Tert-Butyl Formate SCHEMBL27841745 0.86 NOS3 (0.40) NOS1NOS3NOS2BACE1HRH3
SCHEMBL14000807 0.78 NOS1 (0.48) NOS1NOS3
SCHEMBL8209632 0.78 NOS1 (0.48) NOS1NOS3
Hydrochloric Acid SCHEMBL27406537 0.76 SLC6A4 (0.43) HRH3SLC6A4
SCHEMBL2144796 0.75 BACE1 (0.39) BACE1
SCHEMBL27822229 0.75 NOS1 (0.40) NOS1NOS3NOS2BACE1
SCHEMBL28159880 0.74 SLC6A4 (0.47) HRH3SLC6A4
SCHEMBL2143985 0.74 MEN1 (0.39) NOS1NOS3NOS2
SCHEMBL14921540 0.73 BCHE (0.41) HRH3SLC6A4
SCHEMBL2144732 0.72 BACE1 (0.40) NOS1NOS3BACE1

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 9 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
CN-104910148-A Aminotriazolopyridines and use thereof as kinase inhibitors SIGNAL PHARM LLC 2015-09-16 CN disclosed
CN-102203093-B Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2015-05-13 CN 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
CN-102203093-A Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2011-09-28 CN 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 NOS1 705/4885NOS3 515/4885NOS2 448/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NOS1 705/4885NOS3 515/4885NOS2 448/4885

“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.