SCHEMBL2771863

SCHEMBL2771863

O=C(Nc1nc2cccc(-c3ccco3)n2n1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.67
▸ JAK2 O60674 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ADORA2A P29274 6/20 0.51
▸ ADORA1 P30542 4/20 0.51
▸ ADORA3 P0DMS8 3/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ JAK1 P23458 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50

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
SCHEMBL2773247 0.86 MAP3K5 (0.52) MAP3K5JAK2ADORA2AADORA1ADORA3
SCHEMBL13031321 0.80 JAK1 (0.67) JAK2JAK1
SCHEMBL2772932 0.80 MAP3K5 (1.00) MAP3K5JAK2KDM4ESMN1; SMN2TDP1
SCHEMBL2788216 0.78 MAP3K5 (0.54) MAP3K5JAK2KDM4EMEN1ALDH1A1
SCHEMBL2772600 0.77 MAP3K5 (0.61) MAP3K5JAK2KDM4EMEN1KMT2A
SCHEMBL2771595 0.77 MAP3K5 (0.61) MAP3K5JAK2KDM4EMEN1KMT2A
SCHEMBL2790012 0.76 MAP3K5 (0.60) MAP3K5JAK2KDM4ESMN1; SMN2TDP1
SCHEMBL2787657 0.75 MAP3K5 (0.65) MAP3K5JAK2KDM4ETDP1MAPK1
SCHEMBL2787002 0.75 MAP3K5 (0.89) MAP3K5JAK2KDM4ETDP1LMNA
SCHEMBL13031296 0.74 JAK1 (0.72) MAP3K5JAK2KDM4EALDH1A1JAK1

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-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 MAP3K5 1/4885JAK2 228/4885KDM4E 1621/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885JAK2 228/4885KDM4E 1621/4885

“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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