SCHEMBL1476875

SCHEMBL1476875

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(Br)n4ncnc34)cc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.46
GPR119 Q8TDV5 2/20 0.40
PIP4K2A P48426 1/20 0.40
CCND3 P30281 2/20 0.39
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
MAPT P10636 2/20 0.39
JAK3 P52333 1/20 0.39
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPKAPK5 Q8IW41 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37

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
SCHEMBL1476815 0.80 MAPKAPK5 (0.63) MKNK1GPR119PIP4K2AMAPKAPK5
SCHEMBL276378 0.74 GPR119 (0.52) GPR119CCNA2CDK2MAPTTSHR
SCHEMBL1475215 0.74 MAPKAPK5 (0.45) PIP4K2ACCND3CCNA2CDK2MAPKAPK5
SCHEMBL18486790 0.74 MAPKAPK5 (0.51) PIP4K2AMAPKAPK5
SCHEMBL1206883 0.74 ALDH1A1 (0.47) MKNK1GPR119MAPT
SCHEMBL76458 0.73 NR1H2 (0.54) GPR119MAPT
SCHEMBL29840500 0.71 MAPT (0.44) MKNK1GPR119MAPT
SCHEMBL1476881 0.71 MAPKAPK5 (0.48) MAPTJAK3SYKTSHRMAPKAPK5
SCHEMBL30783301 0.71 CCND3 (0.51) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL12795832 0.71 GPR119 (0.54) GPR119MAPTMEN1KMT2ASMN1; SMN2

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 MKNK1 258/4885GPR119 1107/4885PIP4K2A 765/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MKNK1 279/4885GPR119 1114/4885PIP4K2A 881/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MKNK1 279/4885GPR119 1114/4885PIP4K2A 881/4885

“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.