SCHEMBL1048035

SCHEMBL1048035

O=c1cc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3ncnn23)cc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 5/20 0.57
CDK4 P11802 11/20 0.38
CCND1 P24385 10/20 0.38
CDK6 Q00534 2/20 0.38
CDK2 P24941 7/20 0.37
CCND2 P30279 7/20 0.37
CCND3 P30281 7/20 0.37
CCNA2 P20248 5/20 0.37
CCNE2 O96020 4/20 0.37
CCNE1 P24864 4/20 0.37
CCNA1 P78396 4/20 0.37
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
FGFR1 P11362 4/20 0.37
FGFR2 P21802 4/20 0.37
FGFR4 P22455 4/20 0.37
FGFR3 P22607 4/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL1046099 0.97 MAPKAPK5 (0.58) MAPKAPK5CDK4CCND1CDK6CDK2
SCHEMBL1047106 0.96 MAPKAPK5 (0.60) MAPKAPK5CDK4CCND1CDK6HRH3
SCHEMBL1043477 0.86 MAPKAPK5 (0.76) MAPKAPK5
SCHEMBL1047036 0.86 MAPKAPK5 (0.62) MAPKAPK5CDK4CCND1CDK6CDK2
SCHEMBL2196472 0.85 MAPKAPK5 (0.53) MAPKAPK5CDK4CCND1CDK6CDK2
SCHEMBL10134496 0.85 MAPKAPK5 (0.57) MAPKAPK5CDK4CCND1CDK6CDK2
SCHEMBL1044922 0.84 MAPKAPK5 (0.62) MAPKAPK5CDK6CDK2CCND3CCNA2
SCHEMBL1047752 0.82 MAPKAPK5 (0.63) MAPKAPK5FGFR1ROCK2
SCHEMBL10134462 0.82 MAPKAPK5 (0.58) MAPKAPK5CDK4CCND1CDK6CCND2
SCHEMBL1045465 0.82 MAPKAPK5 (0.60) MAPKAPK5CDK4CCND1CDK2CCND2

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 9 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
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
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 15/4885CDK4 606/4885CCND1 1876/4885

“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.