SCHEMBL3301937

SCHEMBL3301937

CC(Br)c1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.48
JAK2 O60674 13/20 0.44
JAK3 P52333 10/20 0.44
PTK2 Q05397 8/20 0.44
BRAF P15056 1/20 0.41
JAK1 P23458 2/20 0.40
IDH2 P48735 1/20 0.39

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
SCHEMBL3303888 0.88 KCNH3 (0.48) KCNH3JAK2JAK3PTK2BRAF
SCHEMBL3299482 0.81 JAK2 (0.48) KCNH3JAK2JAK3PTK2BRAF
SCHEMBL13392080 0.81 KCNH3 (0.54) KCNH3JAK2JAK3PTK2BRAF
SCHEMBL2144076 0.79 JAK2 (0.48) KCNH3JAK2JAK3PTK2BRAF
SCHEMBL2144355 0.78 JAK2 (0.45) KCNH3JAK2JAK3PTK2BRAF
SCHEMBL3304027 0.78 KCNH3 (0.39) KCNH3JAK2JAK3PTK2BRAF
SCHEMBL2144208 0.77 JAK2 (0.44) KCNH3JAK2JAK3PTK2BRAF
SCHEMBL3304763 0.77 JAK2 (0.44) KCNH3JAK2JAK3PTK2JAK1
SCHEMBL2144674 0.77 KCNH3 (0.45) KCNH3JAK2JAK3PTK2JAK1
SCHEMBL2144963 0.77 KCNH3 (0.45) KCNH3JAK2JAK3PTK2JAK1

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 4 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
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 KCNH3 2766/4885JAK2 26/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KCNH3 2766/4885JAK2 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.