SCHEMBL1045264

SCHEMBL1045264

c1cc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)c2cc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.48
TTBK2 Q6IQ55 2/20 0.48
EPHB4 P54760 1/20 0.47
MAPKAPK5 Q8IW41 3/20 0.45
ATR Q13535 3/20 0.43
PIK3CD O00329 4/20 0.42
PIK3CA P42336 4/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
ATRIP Q8WXE1 1/20 0.41
ZAP70 P43403 2/20 0.40
JAK2 O60674 2/20 0.40
MTOR P42345 1/20 0.40
SLC2A1 P11166 1/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL1044297 0.89 MAPKAPK5 (0.41) TTBK1TTBK2EPHB4MAPKAPK5PIK3CD
SCHEMBL2199371 0.86 TTBK1 (0.47) TTBK1TTBK2EPHB4MAPKAPK5ATR
SCHEMBL12618583 0.84 ATR (0.53) TTBK1TTBK2EPHB4MAPKAPK5ATR
SCHEMBL1044940 0.80 JAK2 (0.51) TTBK1TTBK2MAPKAPK5PIK3CAPIK3CG
SCHEMBL1043468 0.80 JAK2 (0.59) TTBK1TTBK2MAPKAPK5PIK3CAZAP70
SCHEMBL1399517 0.78 JAK2 (0.38) EPHB4MAPKAPK5ATRPIK3CDPIK3CA
SCHEMBL1044285 0.77 MAPKAPK5 (0.48) TTBK1TTBK2MAPKAPK5ZAP70JAK2
SCHEMBL1045483 0.76 MAPKAPK5 (0.52) TTBK1TTBK2MAPKAPK5JAK2
SCHEMBL10134404 0.74 MAPKAPK5 (0.41) EPHB4MAPKAPK5ATRPIK3CAMTOR
SCHEMBL1046703 0.74 MAPKAPK5 (0.75) TTBK1TTBK2MAPKAPK5JAK2

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 11 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-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
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 TTBK1 346/4885TTBK2 525/4885EPHB4 2128/4885

“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.