SCHEMBL3301726

SCHEMBL3301726

NC(=O)c1ccc(Nc2nc3ccnc(Br)n3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.49
MAPK10 P53779 1/20 0.49
ROCK1 Q13464 1/20 0.48
AURKA O14965 6/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
AURKB Q96GD4 2/20 0.45
JAK2 O60674 3/20 0.43
CDK2 P24941 2/20 0.43
GSK3B P49841 2/20 0.43
KCNH2 Q12809 1/20 0.43
CDK4 P11802 1/20 0.43
JAK3 P52333 3/20 0.42
LCK P06239 1/20 0.42
IKBKB O14920 2/20 0.40
CHUK O15111 1/20 0.40
ACVR1 Q04771 1/20 0.40
PIK3CG P48736 1/20 0.39
CAMKK2 Q96RR4 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
SCHEMBL3303379 0.85 MKNK1 (0.47) MKNK1MKNK2JAK2CDK2KCNH2
SCHEMBL3303680 0.82 JAK2 (0.49) MAPK8MAPK10ROCK1AURKAMKNK1
SCHEMBL3303571 0.79 JAK2 (0.50) ROCK1AURKAJAK2CDK2CDK4
SCHEMBL3303788 0.76 KCNH2 (0.45) JAK2CDK2GSK3BKCNH2CDK4
SCHEMBL3299809 0.76 JAK2 (0.45) MAPK8AURKAJAK2CDK2GSK3B
SCHEMBL2144118 0.75 JAK2 (0.64) MAPK8MAPK10JAK2JAK3
SCHEMBL7977445 0.73 JAK2 (0.62) AURKAJAK2JAK3
SCHEMBL2145769 0.72 JAK2 (0.64) JAK2JAK3
SCHEMBL3215814 0.72 JAK2 (0.61) JAK2JAK3
SCHEMBL2144107 0.72 PLA2G10 (0.45) MAPK8MAPK10AURKAAURKBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPK8 189/4885MAPK10 367/4885ROCK1 680/4885

“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.