SCHEMBL1476261

SCHEMBL1476261

FC(F)(F)CN1CCN(c2ccc(Nc3ncc(Br)n4ncnc34)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.37
MAPKAPK5 Q8IW41 2/20 0.35
BTK Q06187 2/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CTSC P53634 1/20 0.34
RET P07949 1/20 0.34
FLT3 P36888 1/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SYK P43405 2/20 0.33
JAK2 O60674 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
SCHEMBL1477915 0.88 MAPKAPK5 (0.46) MAPKAPK5MAPTTSHRHTTSYK
SCHEMBL1475259 0.84 BTK (0.38) MAPKAPK5BTKRETFLT3SYK
SCHEMBL1476927 0.82 MAPKAPK5 (0.50) MAPKAPK5BTKMAPTGAAFLT3
SCHEMBL1475806 0.82 MAPKAPK5 (0.59) HPGDSMAPKAPK5RETSYKJAK2
SCHEMBL1475882 0.81 MAPKAPK5 (0.37) MAPKAPK5BTKFLT3
SCHEMBL1476216 0.81 FLT3 (0.41) MAPKAPK5BTKFLT3
SCHEMBL1476985 0.78 MAPKAPK5 (0.48) HPGDSMAPKAPK5MAPTKDM4EAR
SCHEMBL3796304 0.76 MAPKAPK5 (0.38) HPGDSMAPKAPK5BTKMAPTKDM4E
SCHEMBL4399603 0.74 PDE1B (0.31)
SCHEMBL2217998 0.70 MAPKAPK5 (0.74) MAPKAPK5BTKMAPTRETFLT3

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 8 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-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
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
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
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 HPGDS 68/4885MAPKAPK5 5/4885BTK 4417/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B HPGDS 103/4885MAPKAPK5 18/4885BTK 4104/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B HPGDS 103/4885MAPKAPK5 18/4885BTK 4104/4885

“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.