SCHEMBL1476491

SCHEMBL1476491

O=C(O)c1ccc(Nc2ncc(Br)n3ncnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GSK3B P49841 5/20 0.46
TOP2A P11388 1/20 0.44
BRAF P15056 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CHEK1 O14757 1/20 0.42
NTRK2 Q16620 1/20 0.42
GSK3A P49840 4/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
TP53 P04637 1/20 0.40
TNKS O95271 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
AURKA O14965 3/20 0.38

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
SCHEMBL1477672 0.86 TP53 (0.57) ALDH1A1KDM4EPOLBNPC1TP53
SCHEMBL1674131 0.77 MAPKAPK5 (0.48) ALDH1A1KDM4EGSK3BTDP1CHEK1
SCHEMBL1476085 0.75 MAPKAPK5 (0.64) POLBNPC1KDRMAPTRAB9A
SCHEMBL1476275 0.73 MAPKAPK5 (0.61) EGFRKDR
SCHEMBL18486790 0.71 MAPKAPK5 (0.51) TNKS
SCHEMBL1475215 0.71 MAPKAPK5 (0.45) TNKSAURKA
SCHEMBL1475718 0.70 SYK (0.48)
SCHEMBL1476927 0.70 MAPKAPK5 (0.50) NPC1MAPTRAB9A
SCHEMBL1477915 0.69 MAPKAPK5 (0.46) MAPTAURKA
SCHEMBL3645658 0.65 GSK3B (0.61) GSK3BCHEK1NTRK2GSK3ANPC1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2011-07-21 US disclosed
US-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2011-07-21 US disclosed
US-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2011-07-21 US disclosed
US-7915256-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-03-29 US disclosed
US-7915256-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-03-29 US disclosed
US-7915256-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-03-29 US disclosed
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-11-25 US disclosed
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-11-25 US disclosed
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-11-25 US disclosed
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
EP-2029602-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-03-04 EP disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 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 (3 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-20110178067-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES PTGES, IL1B, PTGER1 ALDH1A1 1020/4885KDM4E 4289/4885GSK3B 2481/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B ALDH1A1 698/4885KDM4E 4324/4885GSK3B 2072/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B ALDH1A1 698/4885KDM4E 4324/4885GSK3B 2072/4885

“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.