SCHEMBL2771978

SCHEMBL2771978

COc1cccc(C(=O)Nc2nc3cccc(NC4CCC(O)CC4)n3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.58
▸ JAK2 O60674 2/20 0.52
▸ MAP3K5 Q99683 1/20 0.49
▸ MCHR1 Q99705 1/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR1F P30939 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL2790274 0.83 MAP3K5 (0.69) JAK1JAK2MAP3K5TYK2ALDH1A1
SCHEMBL12317221 0.83 MAP3K5 (0.69) JAK1JAK2MAP3K5TYK2ALDH1A1
SCHEMBL2144635 0.82 JAK2 (0.52) JAK1JAK2JAK3KMT2AAXL
SCHEMBL2144630 0.82 JAK2 (0.52) JAK1JAK2JAK3KMT2AAXL
SCHEMBL2789479 0.79 JAK1 (0.59) JAK1JAK2POLBALDH1A1LMNA
SCHEMBL2770875 0.79 JAK2 (0.53) JAK1JAK2MAP3K5LMNAADORA2A
SCHEMBL2787509 0.78 MAP3K5 (0.74) JAK1JAK2MAP3K5TYK2ALDH1A1
SCHEMBL2145188 0.78 SCN9A (0.50) MAP3K5
SCHEMBL2145196 0.78 SCN9A (0.50) MAP3K5
SCHEMBL2787694 0.78 JAK1 (0.53) JAK1JAK2MAP3K5LMNAADORA2A

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

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

“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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