SCHEMBL1475901

SCHEMBL1475901

c1nc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3cn[nH]c3)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 13/20 1.00
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
PTK6 Q13882 1/20 0.50
BMPR1B O00238 1/20 0.47
KDR P35968 1/20 0.47
BMPR1A P36894 1/20 0.47
ACVR1B P36896 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVRL1 P37023 1/20 0.47
TGFBR2 P37173 1/20 0.47
ACVR1 Q04771 1/20 0.47
BMPR2 Q13873 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
FYN P06241 1/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2219234 0.91 MAPKAPK5 (0.83) MAPKAPK5AURKAAURKBPTK6BMPR1B
SCHEMBL2217134 0.90 MAPKAPK5 (0.82) MAPKAPK5AURKAAURKBPTK6KDR
SCHEMBL1476426 0.89 MAPKAPK5 (0.80) MAPKAPK5AURKAAURKBPTK6BMPR1B
SCHEMBL2220830 0.88 MAPKAPK5 (0.78) MAPKAPK5AURKAAURKBPTK6BMPR1B
SCHEMBL2217920 0.88 MAPKAPK5 (0.78) MAPKAPK5AURKAAURKBPTK6BMPR1B
SCHEMBL1478109 0.88 MAPKAPK5 (0.78) MAPKAPK5AURKAAURKBPTK6BMPR1B
SCHEMBL2218746 0.88 MAPKAPK5 (0.78) MAPKAPK5AURKAAURKBPTK6BMPR1B
SCHEMBL2219503 0.87 MAPKAPK5 (0.76) MAPKAPK5AURKAAURKBPTK6FYN
SCHEMBL1476521 0.86 MAPKAPK5 (0.75) MAPKAPK5AURKAAURKBPTK6SYK
SCHEMBL1475903 0.86 MAPKAPK5 (0.75) MAPKAPK5AURKAAURKBPTK6BMPR1B

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 23 patents — showing the first 20. 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 claimed
EP-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US claimed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US claimed
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-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
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 MAPKAPK5 5/4885AURKA 3963/4885AURKB 4291/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885AURKA 3847/4885AURKB 4295/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885AURKA 3847/4885AURKB 4295/4885

“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.