SCHEMBL1044258

SCHEMBL1044258

CC(C)N1CCN(c2ccc(Nc3ccc(-c4ccc(F)c(C(N)=O)c4)n4ncnc34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 3/20 0.42
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
TGFBR1 P36897 2/20 0.39
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
ACVR1B P36896 1/20 0.39
TNIK Q9UKE5 1/20 0.39
STAT6 P42226 4/20 0.38
IGF1R P08069 4/20 0.38
INSR P06213 1/20 0.38
ALK Q9UM73 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL1044228 0.89 MAPKAPK5 (0.53) MAPKAPK5MAPK9MAPK10STAT6
SCHEMBL12618601 0.85 MAPKAPK5 (0.53) MAPKAPK5MAPK9MAPK10BMPR1BBMPR1A
SCHEMBL1042581 0.85 CDK4 (0.44) MAPKAPK5MAPK9MAPK10IGF1RINSR
SCHEMBL1044504 0.84 MAPKAPK5 (0.51) MAPKAPK5MAPK9MAPK10ACVR1INSR
SCHEMBL1070077 0.78 MAPKAPK5 (0.47) MAPKAPK5IGF1RCDK4CCND1
SCHEMBL1044218 0.78 MAPKAPK5 (0.44) MAPKAPK5MAPK9MAPK10INSRALK
SCHEMBL1047576 0.78 JAK2 (0.47) MAPKAPK5IGF1R
SCHEMBL2223283 0.76 MAPKAPK5 (0.53) MAPKAPK5MAPK10BMPR1BBMPR1ATGFBR1
SCHEMBL12618581 0.75 MAPKAPK5 (0.67) MAPKAPK5MAPK9MAPK10STAT6
SCHEMBL1046935 0.75 MAPKAPK5 (0.42) MAPKAPK5INSRALKCDK4CCND1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP claimed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US claimed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO claimed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 MAPKAPK5 15/4885MAPK9 458/4885MAPK10 843/4885

“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.