SCHEMBL1044504

SCHEMBL1044504

CN1CCN(c2ccc(Nc3ccc(-c4ccc(C(N)=O)c(F)c4)n4ncnc34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.51
INSR P06213 1/20 0.44
ALK Q9UM73 1/20 0.44
CSF1R P07333 1/20 0.43
ACVR1 Q04771 1/20 0.43
SLC2A1 P11166 3/20 0.42
BTK Q06187 2/20 0.42
FLT3 P36888 1/20 0.42
KDM1A O60341 2/20 0.42
SYK P43405 2/20 0.42
MAPKAPK2 P49137 1/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
NEK2 P51955 1/20 0.41
RPS6KA3 P51812 1/20 0.41
JAK2 O60674 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
SCHEMBL2220773 0.87 MAPKAPK5 (0.64) MAPKAPK5INSRALKACVR1SLC2A1
SCHEMBL1044228 0.84 MAPKAPK5 (0.53) MAPKAPK5MAPK9MAPK10JAK2
SCHEMBL1044258 0.84 MAPKAPK5 (0.42) MAPKAPK5INSRALKACVR1MAPK9
SCHEMBL2216248 0.79 MAPKAPK5 (0.75) MAPKAPK5
SCHEMBL1043477 0.78 MAPKAPK5 (0.76) MAPKAPK5INSRALKKDM1AMAPKAPK2
SCHEMBL1046936 0.77 MAPKAPK5 (0.44) MAPKAPK5INSRALKFLT3KDM1A
SCHEMBL1048653 0.77 MAPKAPK5 (0.58) MAPKAPK5INSRFLT3MAPK9MAPK10
SCHEMBL1045287 0.77 MAPKAPK5 (0.45) MAPKAPK5FLT3KDM1AJAK2
SCHEMBL1048208 0.76 MAPKAPK5 (0.49) MAPKAPK5INSRALKKDM1AMAPKAPK2
SCHEMBL1042581 0.76 CDK4 (0.44) MAPKAPK5INSRALKMAPK9MAPK10

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 12 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
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
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 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
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 MAPKAPK5 15/4885INSR 3071/4885ALK 1583/4885

“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.