SCHEMBL2789017

SCHEMBL2789017

COc1cccc(C(=O)Nc2nc3cccc(-c4ccoc4)n3n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.74
JAK1 P23458 5/20 0.62
JAK2 O60674 6/20 0.56
JAK3 P52333 2/20 0.50
IKBKB O14920 1/20 0.50
RIPK2 O43353 1/20 0.50
LCK P06239 1/20 0.50
TYK2 P29597 1/20 0.50
SYK P43405 1/20 0.50
GSK3B P49841 1/20 0.50
PTK2B Q14289 1/20 0.50
BRAF P15056 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TDP2 O95551 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GRM5 P41594 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL2789781 0.93 MAP3K5 (0.72) MAP3K5JAK1JAK2JAK3IKBKB
SCHEMBL2787856 0.90 MAP3K5 (0.77) MAP3K5JAK1JAK2JAK3IKBKB
SCHEMBL2772932 0.85 MAP3K5 (1.00) MAP3K5JAK1JAK2KDM4EMAPT
SCHEMBL2790182 0.84 MAP3K5 (0.74) MAP3K5JAK1JAK2JAK3BRAF
SCHEMBL2788079 0.84 MAP3K5 (0.85) MAP3K5JAK1JAK2KDM4EMAPT
SCHEMBL2786800 0.83 MAP3K5 (0.73) MAP3K5JAK1JAK2JAK3ALDH1A1
SCHEMBL2840397 0.82 MAP3K5 (0.74) MAP3K5JAK1JAK2JAK3KDM4E
SCHEMBL2788369 0.81 MAP3K5 (0.83) MAP3K5JAK1JAK2TYK2KDM4E
SCHEMBL2789401 0.81 MAP3K5 (0.78) MAP3K5JAK1JAK2TYK2KDM4E
SCHEMBL2787002 0.81 MAP3K5 (0.89) MAP3K5JAK1JAK2TYK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US claimed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP claimed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO claimed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885JAK1 229/4885JAK2 228/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885JAK1 229/4885JAK2 228/4885

“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.