SCHEMBL1476701

SCHEMBL1476701

CC(C)(C)[Si](C)(C)OCc1nn(C2CCCOC2)cc1-c1cnc(Nc2ccc(N3CCOCC3)cc2)c2ncnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 9/20 0.47
ACVR1 Q04771 1/20 0.35
ZAP70 P43403 1/20 0.35
FYN P06241 1/20 0.35
SCTR P47872 2/20 0.34
SMO Q99835 1/20 0.34
CDK4 P11802 3/20 0.33
FLT3 P36888 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
AURKA O14965 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 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
SCHEMBL12443441 0.88 MAPKAPK5 (0.48) MAPKAPK5ZAP70FYNSCTRSMO
SCHEMBL1476714 0.87 MAPKAPK5 (0.49) MAPKAPK5FYNSCTRSMOCDK4
SCHEMBL1476702 0.82 MAPKAPK5 (0.47) MAPKAPK5ACVR1ZAP70FYNSCTR
SCHEMBL1476516 0.78 MAPKAPK5 (0.51) MAPKAPK5ZAP70FYNCDK4FLT3
SCHEMBL12443443 0.78 MAPKAPK5 (0.49) MAPKAPK5FYNCDK4FLT3CDK1
SCHEMBL1476717 0.76 MAPKAPK5 (0.49) MAPKAPK5FYNSCTRSMOCDK4
SCHEMBL12443448 0.71 MAPKAPK5 (0.65) MAPKAPK5ZAP70FYN
SCHEMBL1477999 0.71 ATR (0.31)
SCHEMBL1476303 0.67 MAPKAPK5 (0.53) MAPKAPK5FYNCDK4FLT3CCND1
SCHEMBL1476413 0.67 MAPKAPK5 (0.67) MAPKAPK5ZAP70FYN

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 MAPKAPK5 5/4885ACVR1 2509/4885ZAP70 1721/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885ACVR1 2065/4885ZAP70 1254/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885ACVR1 2065/4885ZAP70 1254/4885

“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.