SCHEMBL3301308

SCHEMBL3301308

CC1(C)C(=O)Nc2cc(Nc3nc4ccnc(Br)n4n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
SYK P43405 5/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
JAK2 O60674 11/20 0.37
JAK1 P23458 5/20 0.37
MARK3 P27448 1/20 0.36
IDO1 P14902 1/20 0.35
TNF P01375 1/20 0.34

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
SCHEMBL3305581 0.85 JAK2 (0.38) LCKBRAFKDRMAPK14JAK2
SCHEMBL3304641 0.83 MAPK14 (0.39) LCKBRAFKDRMAPK14SYK
SCHEMBL2145136 0.82 JAK2 (0.39) LCKBRAFKDRMAPK14JAK2
SCHEMBL3302102 0.81 JAK2 (0.47) LCKBRAFKDRMAPK14SYK
SCHEMBL3299822 0.81 SYK (0.40) LCKBRAFKDRMAPK14SYK
SCHEMBL3302942 0.80 SYK (0.42) LCKBRAFKDRMAPK14SYK
SCHEMBL3305434 0.80 JAK2 (0.37) LCKBRAFKDRMAPK14SYK
SCHEMBL2144402 0.79 JAK2 (0.37) LCKBRAFKDRMAPK14SYK
SCHEMBL3303709 0.79 SYK (0.41) LCKBRAFKDRMAPK14SYK
SCHEMBL3300617 0.78 JAK2 (0.42) LCKBRAFKDRMAPK14SYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LCK 59/4885BRAF 151/4885KDR 1041/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 LCK 59/4885BRAF 151/4885KDR 1041/4885

“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.