SCHEMBL2789812

SCHEMBL2789812

O=C(Nc1nc2cccc(NC3CCCCC3)n2n1)c1ccc(CN2CCCC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.45
▸ JAK1 P23458 8/20 0.45
▸ F10 P00742 1/20 0.42
▸ MAP3K5 Q99683 1/20 0.41
▸ TYRO3 Q06418 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ WDR91 A4D1P6 1/20 0.39

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
SCHEMBL2789362 0.87 JAK2 (0.58) JAK2JAK1
SCHEMBL2787512 0.87 JAK2 (0.58) JAK2JAK1
SCHEMBL2787254 0.86 JAK2 (0.51) JAK2JAK1MAP3K5
SCHEMBL2786928 0.84 JAK2 (0.56) JAK2JAK1
SCHEMBL2771078 0.84 JAK1 (0.57) JAK2JAK1
SCHEMBL2786688 0.84 JAK2 (0.50) JAK2JAK1
SCHEMBL2788211 0.84 MAP3K5 (0.60) JAK2JAK1F10MAP3K5TYRO3
SCHEMBL2790696 0.82 JAK2 (0.49) JAK2JAK1
SCHEMBL2787694 0.81 JAK1 (0.53) JAK2JAK1MAP3K5
SCHEMBL2790848 0.81 JAK1 (0.49) JAK2JAK1MAP3K5

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 5 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 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
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

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 JAK2 228/4885JAK1 229/4885F10 4705/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 JAK2 228/4885JAK1 229/4885F10 4705/4885

“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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