SCHEMBL2788535

SCHEMBL2788535

O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.63
▸ JAK1 P23458 3/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ HIF1A Q16665 6/20 0.45
▸ EPAS1 Q99814 6/20 0.45
▸ F10 P00742 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ TEAD1 P28347 1/20 0.40
▸ ACKR3 P25106 1/20 0.40

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
SCHEMBL3022798 0.93 MAP3K5 (0.65) MAP3K5JAK1JAK2DRD4HIF1A
SCHEMBL2788211 0.85 MAP3K5 (0.60) MAP3K5JAK1JAK2DRD4HIF1A
SCHEMBL2789346 0.84 MAP3K5 (0.67) MAP3K5JAK1JAK2HIF1AEPAS1
SCHEMBL2789544 0.83 MAP3K5 (0.67) MAP3K5JAK1JAK2JAK3
SCHEMBL2786928 0.82 JAK2 (0.56) JAK1JAK2KCNH2JAK3ACKR3
SCHEMBL2787410 0.78 MAP3K5 (0.76) MAP3K5JAK1JAK2ACKR3
SCHEMBL2788851 0.77 MAP3K5 (0.69) MAP3K5JAK1JAK2SLC6A5
SCHEMBL2788575 0.77 MAP3K5 (1.00) MAP3K5JAK1JAK2
SCHEMBL3024342 0.77 MAP3K5 (0.71) MAP3K5JAK1JAK2KCNH2
SCHEMBL2787512 0.76 JAK2 (0.58) JAK1JAK2KCNH2JAK3

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-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

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 1/4885JAK1 229/4885JAK2 228/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885JAK1 229/4885JAK2 228/4885

“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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