SCHEMBL2145166

SCHEMBL2145166

CN1CCC(NC(=O)c2ccc(Nc3nc4cccc(-c5cccc(O)c5)n4n3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.64
JAK2 O60674 14/20 0.52
JAK3 P52333 6/20 0.52
PTK2 Q05397 6/20 0.52
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
BRD4 O60885 2/20 0.46
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
IGF1R P08069 1/20 0.46

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
SCHEMBL3215137 0.91 JAK1 (0.64) JAK1JAK2JAK3PTK2AURKA
SCHEMBL13486891 0.91 JAK1 (0.71) JAK1JAK2JAK3PTK2
SCHEMBL3205257 0.90 JAK1 (0.63) JAK1JAK2JAK3PTK2AURKA
SCHEMBL3215314 0.90 JAK1 (0.63) JAK1JAK2JAK3PTK2AURKA
SCHEMBL3202551 0.89 JAK2 (0.67) JAK1JAK2JAK3PTK2BRD4
SCHEMBL3195982 0.89 JAK1 (0.64) JAK1JAK2JAK3PTK2BRD4
SCHEMBL3216207 0.89 JAK1 (0.61) JAK1JAK2JAK3PTK2AURKA
SCHEMBL3204140 0.88 JAK1 (0.61) JAK1JAK2JAK3PTK2BRD4
SCHEMBL13466016 0.87 JAK2 (0.50) JAK1JAK2JAK3PTK2
SCHEMBL3205974 0.87 JAK1 (0.70) JAK1JAK2JAK3PTK2AURKA

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 18 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 claimed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US claimed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US claimed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP claimed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US claimed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO claimed
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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US 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
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 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
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US 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 JAK1 69/4885JAK2 26/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK1 69/4885JAK2 26/4885JAK3 86/4885

“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.