SCHEMBL2790846

SCHEMBL2790846

O=C(Nc1nc2cccc(NC3CCCCC3)n2n1)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.57
▸ JAK2 O60674 5/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ TYK2 P29597 1/20 0.52
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ACKR3 P25106 5/20 0.43
▸ MAP3K5 Q99683 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
SCHEMBL2771078 0.92 JAK1 (0.57) JAK1JAK2JAK3TYK2NPC1
SCHEMBL2790189 0.86 HIF1A (0.47) JAK1JAK2JAK3TYK2NPC1
SCHEMBL2789362 0.85 JAK2 (0.58) JAK1JAK2JAK3TYK2ABL1
SCHEMBL2787512 0.85 JAK2 (0.58) JAK1JAK2JAK3TYK2ABL1
SCHEMBL2786928 0.83 JAK2 (0.56) JAK1JAK2JAK3TYK2ABL1
SCHEMBL2786688 0.82 JAK2 (0.50) JAK1JAK2JAK3TYK2ABL1
SCHEMBL2787694 0.81 JAK1 (0.53) JAK1JAK2SMN1; SMN2MAP3K5
SCHEMBL2790696 0.81 JAK2 (0.49) JAK1JAK2JAK3TYK2ABL1
SCHEMBL2770875 0.81 JAK2 (0.53) JAK1JAK2NPC1RAB9ASMN1; SMN2
SCHEMBL2787611 0.80 JAK2 (0.57) JAK1JAK2SMN1; SMN2KDM4EALDH1A1

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 JAK1 229/4885JAK2 228/4885JAK3 452/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 JAK1 229/4885JAK2 228/4885JAK3 452/4885

“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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