SCHEMBL1047752

SCHEMBL1047752

CCCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ncnc34)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 5/20 0.63
KDM1A O60341 2/20 0.38
ZAP70 P43403 2/20 0.38
MT-CO2 P00403 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.36
AOC3 Q16853 2/20 0.36
EGFR P00533 1/20 0.35
MITF O75030 1/20 0.35
RAD52 P43351 1/20 0.35
FGFR1 P11362 1/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL1044922 0.93 MAPKAPK5 (0.62) MAPKAPK5KDM1AZAP70ROCK2MITF
SCHEMBL1044506 0.91 MAPKAPK5 (0.60) MAPKAPK5KDM1AZAP70GAAMAPT
SCHEMBL1043477 0.90 MAPKAPK5 (0.76) MAPKAPK5KDM1AAOC3EGFRRAD52
SCHEMBL1045465 0.87 MAPKAPK5 (0.60) MAPKAPK5KDM1AZAP70GAAMAPT
SCHEMBL1047036 0.87 MAPKAPK5 (0.62) MAPKAPK5ROCK2FGFR1TTBK1TTBK2
SCHEMBL10134456 0.85 MAPKAPK5 (0.63) MAPKAPK5ZAP70MT-CO2GAAMAPT
SCHEMBL1047106 0.84 MAPKAPK5 (0.60) MAPKAPK5ROCK2TTBK1TTBK2LRRK2
SCHEMBL1046099 0.83 MAPKAPK5 (0.58) MAPKAPK5ROCK2FGFR1
SCHEMBL1045305 0.83 MAPKAPK5 (0.58) MAPKAPK5ZAP70ROCK2FGFR1LRRK2
SCHEMBL1082113 0.83 MAPKAPK5 (0.58) MAPKAPK5ZAP70ROCK2FGFR1LRRK2

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-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US claimed
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-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP 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 15/4885KDM1A 2801/4885ZAP70 1324/4885

“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.