SCHEMBL3300689

SCHEMBL3300689

COCc1nc2ccc(Nc3nc4cccc(NC5CC[CH]CC5)n4n3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.40
JAK3 P52333 8/20 0.40
PTK2 Q05397 7/20 0.40
JAK1 P23458 2/20 0.35
ERBB2 P04626 2/20 0.32
MLLT1 Q03111 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
EGFR P00533 1/20 0.32
ABCB1 P08183 1/20 0.31

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
SCHEMBL2144372 0.91 JAK2 (0.40) JAK2JAK3PTK2JAK1
SCHEMBL2144817 0.91 JAK2 (0.43) JAK2JAK3PTK2JAK1MLLT1
SCHEMBL2144828 0.91 JAK2 (0.43) JAK2JAK3PTK2JAK1MLLT1
SCHEMBL2145097 0.80 TDP1 (0.35) JAK2JAK3PTK2MLLT1
SCHEMBL2145113 0.80 TDP1 (0.35) JAK2JAK3PTK2MLLT1
SCHEMBL2144754 0.78 JAK2 (0.39) JAK2JAK3PTK2JAK1GRIN1
SCHEMBL14457168 0.74 JAK2 (0.46) JAK2JAK3PTK2JAK1
SCHEMBL2144109 0.73 JAK2 (0.43) JAK2JAK3PTK2JAK1
SCHEMBL2144120 0.73 JAK2 (0.43) JAK2JAK3PTK2JAK1
SCHEMBL2145225 0.73 JAK2 (0.39) JAK2JAK3PTK2ERBB2EGFR

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-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 (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 JAK2 26/4885JAK3 86/4885PTK2 220/4885

“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.