SCHEMBL1045286

SCHEMBL1045286

CCC(CC)N1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ncnc34)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 4/20 0.56
KDM1A O60341 2/20 0.35
PTK6 Q13882 1/20 0.34
BMPR1B O00238 2/20 0.34
KDR P35968 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVR1B P36896 2/20 0.34
TGFBR1 P36897 2/20 0.34
ACVRL1 P37023 2/20 0.34
TGFBR2 P37173 2/20 0.34
ACVR1 Q04771 2/20 0.34
BMPR2 Q13873 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
INSR P06213 3/20 0.34
ALK Q9UM73 2/20 0.34
FGFR1 P11362 1/20 0.34
RPS6KA3 P51812 1/20 0.33
JAK2 O60674 4/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL1042556 0.87 MAPKAPK5 (0.61) MAPKAPK5KDM1AINSRALKRPS6KA3
SCHEMBL1046703 0.85 MAPKAPK5 (0.75) MAPKAPK5PTK6BMPR1BKDRBMPR1A
SCHEMBL10134492 0.84 MAPKAPK5 (0.55) MAPKAPK5PTK6
SCHEMBL1045465 0.82 MAPKAPK5 (0.60) MAPKAPK5KDM1AFGFR1CDK2
SCHEMBL1044238 0.82 MAPKAPK5 (0.39) MAPKAPK5KDM1AFGFR1JAK2MITF
SCHEMBL1047015 0.81 MAPKAPK5 (0.57) MAPKAPK5BMPR1BKDRBMPR1AACVR1B
SCHEMBL1044218 0.81 MAPKAPK5 (0.44) MAPKAPK5KDM1AINSRALKJAK2
SCHEMBL1047621 0.80 KDM1A (0.40) MAPKAPK5KDM1AALKFGFR1CDK2
SCHEMBL2218746 0.78 MAPKAPK5 (0.78) MAPKAPK5PTK6BMPR1BKDRBMPR1A
SCHEMBL1399885 0.77 MAPKAPK5 (0.41) MAPKAPK5KDM1AFGFR1JAK2CCNE1

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 13 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
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
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 15/4885KDM1A 2801/4885PTK6 635/4885

“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.