SCHEMBL2788216

SCHEMBL2788216

O=C(Nc1nc2cccc(NCc3ccco3)n2n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.54
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ F2 P00734 2/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ ADORA2A P29274 2/20 0.44

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
SCHEMBL2771863 0.78 MAP3K5 (0.67) MAP3K5KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2785724 0.78 MAP3K5 (0.52) MAP3K5KMT2AALDH1A1MAPTMEN1
SCHEMBL2787345 0.77 MAP3K5 (0.51) MAP3K5MAPTKDM4ETDP1SMN1; SMN2
SCHEMBL2788307 0.76 GAA (0.52) MAP3K5KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL2786873 0.76 MAP3K5 (0.50) MAP3K5ALDH1A1MAPTKDM4ETDP1
SCHEMBL2788416 0.76 JAK2 (0.42) MAP3K5KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2789180 0.74 HPGD (0.52) MAP3K5KMT2AALDH1A1MEN1NPSR1
SCHEMBL2787943 0.74 MAP3K5 (0.45) MAP3K5KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2772600 0.72 MAP3K5 (0.61) MAP3K5KMT2AMAPTMEN1KDM4E
SCHEMBL2771595 0.72 MAP3K5 (0.61) MAP3K5KMT2AMAPTMEN1KDM4E

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 14 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-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 1/4885KMT2A 2653/4885ALDH1A1 2574/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885KMT2A 2653/4885ALDH1A1 2574/4885

“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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