SCHEMBL2789285

SCHEMBL2789285

O=C(Nc1nc2cccc(NC3CCCCC3)n2n1)c1ccc(N2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 11/20 0.49
▸ JAK2 O60674 7/20 0.48
▸ MAP3K5 Q99683 1/20 0.45
▸ ACKR3 P25106 1/20 0.43
▸ TYK2 P29597 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38

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
SCHEMBL2788183 0.91 JAK1 (0.49) JAK1JAK2MAP3K5ACKR3TYK2
SCHEMBL12341929 0.90 JAK1 (0.49) JAK1JAK2MAP3K5ACKR3HDAC1
SCHEMBL2787611 0.90 JAK2 (0.57) JAK1JAK2MAP3K5
SCHEMBL3020912 0.88 JAK1 (0.47) JAK1JAK2MAP3K5ACKR3HDAC1
SCHEMBL2787919 0.83 KDM4E (0.47) JAK1JAK2MAP3K5
SCHEMBL2772557 0.83 MAP3K5 (0.51) JAK1JAK2MAP3K5ACKR3TYK2
SCHEMBL2789350 0.83 MAP3K5 (0.49) JAK1JAK2MAP3K5ACKR3TYK2
SCHEMBL2786888 0.83 MAP3K5 (0.66) JAK1JAK2MAP3K5
SCHEMBL2787694 0.81 JAK1 (0.53) JAK1JAK2MAP3K5
SCHEMBL3020907 0.81 MAP3K5 (0.49) JAK1JAK2MAP3K5ACKR3TYK2

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
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-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 (1 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

“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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