SCHEMBL12443443

SCHEMBL12443443

CC(C)(C)[Si](C)(C)OCc1c(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3ncnn23)cnn1C1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 11/20 0.49
FLT3 P36888 1/20 0.38
ATR Q13535 3/20 0.36
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CCNB1 P14635 2/20 0.35
CCND1 P24385 2/20 0.35
CCNB2 O95067 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
TNK2 Q07912 2/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL1476303 0.88 MAPKAPK5 (0.53) MAPKAPK5FLT3ATRCDK4CCND1
SCHEMBL1476714 0.88 MAPKAPK5 (0.49) MAPKAPK5FLT3CDK1CDK4CCNB1
SCHEMBL12443441 0.86 MAPKAPK5 (0.48) MAPKAPK5FLT3CDK1CDK4CCNB1
SCHEMBL1476647 0.82 ATR (0.33) MAPKAPK5ATR
SCHEMBL1476701 0.78 MAPKAPK5 (0.47) MAPKAPK5FLT3CDK1CDK4CCNB1
SCHEMBL1476516 0.77 MAPKAPK5 (0.51) MAPKAPK5FLT3CDK1CDK4CCNB1
SCHEMBL1476717 0.70 MAPKAPK5 (0.49) MAPKAPK5FLT3CDK1CDK4CCNB1
SCHEMBL1477999 0.70 ATR (0.31) ATR
SCHEMBL12443448 0.70 MAPKAPK5 (0.65) MAPKAPK5FYN
SCHEMBL1476413 0.69 MAPKAPK5 (0.67) MAPKAPK5FYN

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 5 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
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 5/4885FLT3 2129/4885ATR 2728/4885
US-20100298300-A1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES P2RX5, P2RX3, IL1B MAPKAPK5 18/4885FLT3 1028/4885ATR 1626/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPKAPK5 18/4885FLT3 1028/4885ATR 1626/4885

“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.