SCHEMBL1046935

SCHEMBL1046935

CC(C)CCN1CCN(c2ccc(Nc3ccc(-c4ccc(C(N)=O)cc4)n4ncnc34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.42
JAK2 O60674 3/20 0.40
SRC P12931 3/20 0.38
LCK P06239 2/20 0.38
HCK P08631 2/20 0.38
KDR P35968 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 4/20 0.38
CHEK1 O14757 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 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
SCHEMBL1046936 0.91 MAPKAPK5 (0.44) MAPKAPK5JAK2SRCMEN1ALDH1A1
SCHEMBL1045287 0.89 MAPKAPK5 (0.45) MAPKAPK5JAK2MEN1ALDH1A1HTT
SCHEMBL10134411 0.85 MAPKAPK5 (0.54) MAPKAPK5JAK2SRCMEN1ALDH1A1
SCHEMBL1044218 0.85 MAPKAPK5 (0.44) MAPKAPK5JAK2MEN1ALDH1A1HTT
SCHEMBL1048653 0.84 MAPKAPK5 (0.58) MAPKAPK5JAK2SRCFLT3JAK3
SCHEMBL1046529 0.82 MAPKAPK5 (0.45) MAPKAPK5JAK2MEN1KMT2ACDK4
SCHEMBL1044506 0.81 MAPKAPK5 (0.60) MAPKAPK5HTTCDK4CCND1CCND2
SCHEMBL1046040 0.81 HRH3 (0.44) MAPKAPK5JAK2SYKCDK4CCND1
SCHEMBL1046083 0.80 MAPKAPK5 (0.44) MAPKAPK5JAK2SYKCDK4CCND1
SCHEMBL1042546 0.80 MAPKAPK5 (0.39) MAPKAPK5JAK2CDK4CCND1CCND2

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
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US 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
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
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 15/4885JAK2 1392/4885SRC 2778/4885

“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.