SCHEMBL3303574

SCHEMBL3303574

C[C@@H](Cc1nccc2nc(Nc3ccccc3)nn12)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.39
JAK3 P52333 6/20 0.39
PTK2 Q05397 2/20 0.39
MAPK8 P45983 2/20 0.38
ACACB O00763 1/20 0.38
AURKA O14965 3/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PLK1 P53350 1/20 0.37
CCNA1 P78396 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
MET P08581 1/20 0.36
MAPK10 P53779 1/20 0.36
AURKB Q96GD4 1/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL3300159 0.91 JAK2 (0.40) JAK2JAK3PTK2ACACBAURKA
SCHEMBL3308862 0.91 JAK2 (0.40) JAK2JAK3PTK2ACACBAURKA
SCHEMBL3304401 0.88 JAK2 (0.41) JAK2JAK3PTK2ACACBMET
SCHEMBL2144991 0.84 JAK2 (0.43) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL2144886 0.84 JAK2 (0.43) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL2144891 0.84 JAK2 (0.43) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL3304370 0.83 JAK2 (0.39) JAK2JAK3PTK2AURKACDK2
SCHEMBL3305825 0.83 JAK2 (0.42) JAK2JAK3PTK2AURKACDK2
SCHEMBL3302640 0.76 JAK2 (0.45) JAK2JAK3PTK2KCNH3JAK1
SCHEMBL3302646 0.76 JAK2 (0.45) JAK2JAK3PTK2KCNH3JAK1

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 2 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-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 JAK2 26/4885JAK3 86/4885PTK2 220/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885PTK2 220/4885

“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.