SCHEMBL2787410

SCHEMBL2787410

Cc1ccc(C(=O)Nc2nc3cc(C(F)(F)F)cc(NC4CC4)n3n2)cn1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.76
▸ KMT2A Q03164 1/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ MCHR1 Q99705 5/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ BTK Q06187 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ TNK2 Q07912 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL3024342 0.89 MAP3K5 (0.71) MAP3K5JAK2JAK1MCHR1ADRA2A
SCHEMBL2789544 0.86 MAP3K5 (0.67) MAP3K5KMT2AJAK2JAK1MCHR1
SCHEMBL2788575 0.86 MAP3K5 (1.00) MAP3K5KMT2AJAK2JAK1
SCHEMBL2788851 0.86 MAP3K5 (0.69) MAP3K5KMT2AJAK2JAK1MCHR1
SCHEMBL2774279 0.85 MAP3K5 (0.55) MAP3K5KMT2AJAK2JAK1MCHR1
SCHEMBL2789598 0.84 MAP3K5 (0.66) MAP3K5JAK2JAK1
SCHEMBL2786888 0.84 MAP3K5 (0.66) MAP3K5KMT2AJAK2JAK1
SCHEMBL2787681 0.84 MAP3K5 (0.66) MAP3K5KMT2AJAK2JAK1
SCHEMBL2788032 0.83 MAP3K5 (0.65) MAP3K5JAK2JAK1MCHR1ADRA2A
SCHEMBL2788750 0.83 MAP3K5 (0.93) MAP3K5KMT2AJAK2JAK1

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 17 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-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
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 2653/4885JAK2 228/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885KMT2A 2653/4885JAK2 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.

Send feedback