SCHEMBL3300917

SCHEMBL3300917

O=Cc1ccc(Nc2nc3ccnc(-c4ccccc4)n3n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.45
▸ GSK3B P49841 3/20 0.38
▸ KDR P35968 5/20 0.36
▸ PLK1 P53350 2/20 0.36
▸ FLT1 P17948 2/20 0.36
▸ FLT4 P35916 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ JAK3 P52333 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
SCHEMBL13504378 0.83 JAK2 (0.51) JAK2JAK3
SCHEMBL3304389 0.81 EGLN2 (0.48) JAK2GSK3BKDR
SCHEMBL3308062 0.80 JAK2 (0.46) JAK2GSK3BPLK1AURKAMAP4K4
SCHEMBL3301223 0.79 KDR (0.52) JAK2KDRPLK1FLT1FLT4
SCHEMBL3304396 0.79 ABCG2 (0.50) JAK2GSK3BKDR
SCHEMBL3304002 0.74 JAK2 (0.45) JAK2KDRPLK1JAK3
SCHEMBL3305538 0.74 JAK2 (0.46) JAK2KDRPLK1FLT1FLT4
SCHEMBL3305445 0.73 JAK2 (0.44) JAK2KDRPLK1JAK3
SCHEMBL3309507 0.71 JAK2 (0.49) JAK2KDRPLK1FLT1FLT4
SCHEMBL3306057 0.71 ADORA2A (0.46) JAK2KDRPLK1FLT1FLT4

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 26/4885GSK3B 852/4885KDR 1041/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885GSK3B 852/4885KDR 1041/4885

“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.

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