SCHEMBL2218922

SCHEMBL2218922

Nc1ncc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cn1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 15/20 0.71
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
FYN P06241 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SYK P43405 1/20 0.44
TSHR P16473 1/20 0.43
NR4A1 P22736 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
SCHEMBL1476354 0.84 MAPKAPK5 (0.70) MAPKAPK5FYNMAPTNPC1POLB
SCHEMBL14207160 0.84 MAPKAPK5 (0.64) MAPKAPK5TTBK1TTBK2MAPTNPC1
SCHEMBL2217622 0.83 MAPKAPK5 (0.64) MAPKAPK5MAPT
SCHEMBL1475901 0.83 MAPKAPK5 (1.00) MAPKAPK5TTBK1TTBK2FYNMAPT
SCHEMBL2221833 0.83 MAPKAPK5 (0.72) MAPKAPK5SYK
SCHEMBL2218278 0.81 MAPKAPK5 (0.66) MAPKAPK5FYNMAPTTSHRNR4A1
SCHEMBL1476692 0.81 MAPKAPK5 (0.73) MAPKAPK5FYNSYK
SCHEMBL1476403 0.80 MAPKAPK5 (0.70) MAPKAPK5TTBK1TTBK2FYNSYK
SCHEMBL1476125 0.80 MAPKAPK5 (0.75) MAPKAPK5FYNSYK
SCHEMBL2217696 0.80 MAPKAPK5 (0.61) MAPKAPK5SYK

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-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-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-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-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 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 (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 5/4885TTBK1 125/4885TTBK2 193/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885TTBK1 158/4885TTBK2 229/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885TTBK1 158/4885TTBK2 229/4885

“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.