SCHEMBL3303802

SCHEMBL3303802

Nc1c(C2CCCNC2)ccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
IDH2 P48735 1/20 0.41
HTR6 P50406 1/20 0.39
CHEK1 O14757 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PTK2 Q05397 5/20 0.38
JAK2 O60674 4/20 0.38
JAK3 P52333 3/20 0.38
PIM1 P11309 1/20 0.38
MAP3K12 Q12852 2/20 0.37
JAK1 P23458 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
SCHEMBL3304440 0.86 PTK2 (0.39) CHEK1CCNA2CDK2CCNA1PTK2
SCHEMBL3303806 0.85 HTR2A (0.43) HTR2AIDH2HTR6CHEK1CCNA2
SCHEMBL3305310 0.82 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL3300452 0.77 IDH2 (0.57) IDH2CHEK1CDK2PTK2JAK2
SCHEMBL3304480 0.77 IDH2 (0.57) IDH2CHEK1CDK2PTK2JAK2
SCHEMBL2144921 0.77 CHEK1 (0.49) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL2145089 0.76 JAK2 (0.45) IDH2CHEK1PTK2JAK2JAK3
SCHEMBL2144375 0.76 JAK2 (0.45) IDH2CHEK1PTK2JAK2JAK3
SCHEMBL2144367 0.76 JAK2 (0.45) IDH2CHEK1PTK2JAK2JAK3
SCHEMBL3299882 0.74 CHEK1 (0.43) IDH2CHEK1PTK2JAK2JAK3

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 claimed

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 HTR2A 1267/4885IDH2 671/4885HTR6 1157/4885

“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.