SCHEMBL3301312

SCHEMBL3301312

OC1CCN(Cc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.46
IDH2 P48735 7/20 0.43
JAK2 O60674 9/20 0.42
JAK3 P52333 6/20 0.42
PTK2 Q05397 6/20 0.42
CYP2D6 P10635 1/20 0.41
OPRK1 P41145 1/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL3301306 1.00 JAK1 (0.46) JAK1IDH2JAK2JAK3PTK2
SCHEMBL3302404 1.00 JAK1 (0.46) JAK1IDH2JAK2JAK3PTK2
SCHEMBL3303815 0.94 JAK2 (0.47) JAK1IDH2JAK2JAK3PTK2
SCHEMBL3305501 0.94 JAK2 (0.47) JAK1IDH2JAK2JAK3PTK2
SCHEMBL3303823 0.94 JAK2 (0.47) JAK1IDH2JAK2JAK3PTK2
SCHEMBL2144031 0.94 JAK2 (0.44) JAK1IDH2JAK2JAK3PTK2
SCHEMBL2144785 0.89 JAK2 (0.41) JAK1JAK2JAK3PTK2
SCHEMBL2144660 0.89 JAK2 (0.41) JAK1JAK2JAK3PTK2
SCHEMBL2144657 0.89 JAK2 (0.41) JAK1JAK2JAK3PTK2
SCHEMBL2145289 0.86 JAK2 (0.46) JAK1JAK2JAK3PTK2

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 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
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US 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-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US 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 69/4885IDH2 671/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK1 69/4885IDH2 671/4885JAK2 26/4885

“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.