SCHEMBL1044285

SCHEMBL1044285

O=c1[nH]cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.48
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
ZAP70 P43403 2/20 0.39
MAPK10 P53779 5/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
JAK2 O60674 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK1 Q13464 1/20 0.36
INSR P06213 1/20 0.36
MAPK9 P45984 1/20 0.36
SLC2A1 P11166 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
SCHEMBL1044234 0.89 MAPKAPK5 (0.42) MAPKAPK5CCNE1CDK2INSR
SCHEMBL12618564 0.84 MAPKAPK5 (0.50) MAPKAPK5ZAP70MAPK10
SCHEMBL1045483 0.77 MAPKAPK5 (0.52) MAPKAPK5TTBK1TTBK2MAPK10CCNE1
SCHEMBL1045264 0.77 TTBK1 (0.48) MAPKAPK5TTBK1TTBK2ZAP70JAK2
SCHEMBL1046703 0.77 MAPKAPK5 (0.75) MAPKAPK5TTBK1TTBK2MAPK10MAPK1
SCHEMBL12618571 0.74 MAPKAPK5 (0.41) MAPKAPK5
SCHEMBL1044232 0.74 AURKA (0.49) MAPKAPK5TTBK1TTBK2MAPK10CDK2
SCHEMBL1044940 0.74 JAK2 (0.51) MAPKAPK5TTBK1TTBK2ZAP70MAPK10
SCHEMBL1048653 0.73 MAPKAPK5 (0.58) MAPKAPK5MAPK10JAK2INSRMAPK9
SCHEMBL1043468 0.73 JAK2 (0.59) MAPKAPK5TTBK1TTBK2ZAP70JAK2

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
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 15/4885TTBK1 346/4885TTBK2 525/4885

“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.