SCHEMBL3304401

SCHEMBL3304401

COC(=O)C(C)Cc1nccc2nc(Nc3ccccc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.41
JAK1 P23458 1/20 0.39
JAK3 P52333 6/20 0.38
PTK2 Q05397 4/20 0.38
ACACB O00763 1/20 0.37
CYP26A1 O43174 2/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
MET P08581 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
SCHEMBL3300159 0.90 JAK2 (0.40) JAK2JAK1JAK3PTK2ACACB
SCHEMBL3308862 0.90 JAK2 (0.40) JAK2JAK1JAK3PTK2ACACB
SCHEMBL3303574 0.88 JAK2 (0.39) JAK2JAK1JAK3PTK2ACACB
SCHEMBL13504287 0.85 JAK2 (0.47) JAK2JAK1JAK3PTK2CYP26A1
SCHEMBL13504288 0.85 JAK2 (0.47) JAK2JAK1JAK3PTK2CYP26A1
SCHEMBL3305825 0.82 JAK2 (0.42) JAK2JAK3PTK2MET
SCHEMBL3304370 0.80 JAK2 (0.39) JAK2JAK3PTK2MET
SCHEMBL3303866 0.79 ATR (0.41) JAK2JAK1
SCHEMBL3302640 0.75 JAK2 (0.45) JAK2JAK1JAK3PTK2
SCHEMBL3302646 0.75 JAK2 (0.45) JAK2JAK1JAK3PTK2

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 26/4885JAK1 69/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885JAK3 86/4885

“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.