SCHEMBL3297779

SCHEMBL3297779

c1cc(N[C@H]2CCCNC2)n2nc(Nc3ccc4c[nH]cc4c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.46
MAPKAPK2 P49137 11/20 0.44
CDK2 P24941 9/20 0.44
SYK P43405 3/20 0.39
MAPK3 P27361 2/20 0.39
MAPK1 P28482 2/20 0.39
KCNH2 Q12809 2/20 0.39
AURKB Q96GD4 2/20 0.39
CHEK2 O96017 1/20 0.38
PRKCZ Q05513 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
NTRK1 P04629 1/20 0.37
PIM1 P11309 1/20 0.36

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
SCHEMBL3302493 0.86 IDH2 (0.50) IDH2MAPKAPK2CDK2SYKMAPK3
SCHEMBL3304385 0.86 IDH2 (0.50) IDH2MAPKAPK2CDK2SYKMAPK3
SCHEMBL3309511 0.86 IDH2 (0.50) IDH2MAPKAPK2CDK2SYKMAPK3
SCHEMBL3299720 0.85 IDH2 (0.48) IDH2MAPKAPK2CDK2CHEK2PRKCZ
SCHEMBL3303060 0.85 IDH2 (0.48) IDH2MAPKAPK2CDK2CHEK2PRKCZ
SCHEMBL3301327 0.85 IDH2 (0.46) IDH2MAPKAPK2CDK2SYKMAPK3
SCHEMBL3304781 0.85 IDH2 (0.46) IDH2MAPKAPK2CDK2SYKMAPK3
SCHEMBL3305517 0.84 MAPKAPK2 (0.55) IDH2MAPKAPK2CDK2SYKMAPK3
SCHEMBL3303949 0.84 MAPKAPK2 (0.55) IDH2MAPKAPK2CDK2SYKMAPK3
SCHEMBL3300860 0.84 CDC7 (0.47) IDH2MAPKAPK2CDK2SYKMAPK3

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-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 (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 IDH2 671/4885MAPKAPK2 23/4885CDK2 37/4885

“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.