SCHEMBL3304449

SCHEMBL3304449

Cn1ncc2ccc(Nc3nc4cccc(NC5CCC(O)CC5)n4n3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 1/20 0.51
ALK Q9UM73 1/20 0.51
SYK P43405 3/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
SLC2A1 P11166 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
CSNK2A1 P68400 4/20 0.38
CSNK2A2 P19784 1/20 0.38
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
CDK2 P24941 2/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37

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
SCHEMBL3304443 1.00 EML4 (0.51) EML4ALKSYKBRD4CREBBP
SCHEMBL3300729 0.93 CDK2 (0.44) EML4ALKSYKBRD4CREBBP
SCHEMBL3300733 0.93 CDK2 (0.44) EML4ALKSYKBRD4CREBBP
SCHEMBL13391687 0.89 EML4 (0.40) EML4ALKSYKBRD4CREBBP
SCHEMBL2145674 0.88 EML4 (0.40) EML4ALKSYKMAPKAPK2CSNK2A1
SCHEMBL2145670 0.88 EML4 (0.40) EML4ALKSYKMAPKAPK2CSNK2A1
SCHEMBL3309629 0.84 CSNK2A1 (0.37) EML4ALKMAPKAPK2CSNK2A1CSNK2A2
SCHEMBL3309618 0.84 CSNK2A1 (0.37) EML4ALKMAPKAPK2CSNK2A1CSNK2A2
SCHEMBL2144993 0.84 CSNK2A1 (0.39) EML4ALKMAPKAPK2CSNK2A1CSNK2A2
SCHEMBL2145000 0.84 CSNK2A1 (0.39) EML4ALKMAPKAPK2CSNK2A1CSNK2A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP claimed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US claimed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US claimed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US claimed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
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 (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 EML4 4514/4885ALK 576/4885SYK 387/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 EML4 4514/4885ALK 576/4885SYK 387/4885

“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.