SCHEMBL3305541

SCHEMBL3305541

Cn1nnc2ccc(Nc3nc4ccnc(-c5cccc(O)c5)n4n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.45
GRM4 Q14833 1/20 0.41
KDR P35968 1/20 0.39
PLK1 P53350 1/20 0.39
PTK2 Q05397 1/20 0.39
AURKB Q96GD4 1/20 0.39
JAK3 P52333 1/20 0.38
NOTUM Q6P988 1/20 0.37
SYK P43405 2/20 0.37
NT5E P21589 1/20 0.37
NSD2 O96028 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
SCHEMBL3309264 0.87 JAK2 (0.48) JAK2PTK2JAK3NT5E
SCHEMBL3306057 0.80 ADORA2A (0.46) JAK2KDRPLK1PTK2JAK3
SCHEMBL3302266 0.77 JAK2 (0.46) JAK2PLK1PTK2JAK3SYK
SCHEMBL3303560 0.77 TTK (0.48) JAK2SYK
SCHEMBL3309011 0.76 JAK2 (0.43) JAK2PTK2JAK3
SCHEMBL3306753 0.75 JAK2 (0.61) JAK2PTK2JAK3
SCHEMBL16353215 0.71 JAK2 (0.76) JAK2KDRPTK2JAK3SYK
SCHEMBL3307006 0.70 JAK2 (0.49) JAK2PTK2JAK3SYK
SCHEMBL3304261 0.69 JAK2 (0.48) JAK2KDRPLK1PTK2JAK3
SCHEMBL2144246 0.68 JAK2 (0.52) JAK2PTK2JAK3

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 26/4885GRM4 2998/4885KDR 1041/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885GRM4 2998/4885KDR 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.