SCHEMBL5823962

SCHEMBL5823962

C=CCc1nc2[nH]ccc2cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK6 Q00534 1/20 0.39
PDPK1 O15530 1/20 0.38
IKBKB O14920 8/20 0.36
CHUK O15111 7/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PARP1 P09874 1/20 0.35
SYK P43405 3/20 0.34
NUDT1 P36639 1/20 0.34
BTK Q06187 2/20 0.34
ITK Q08881 2/20 0.34

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
SCHEMBL16247169 0.73 KDM4E (0.47) RIPK1CCNT1CCND1CCNCCDK8
SCHEMBL3205428 0.70 PARP1 (0.36) GAAMAPTPARP1
SCHEMBL8521320 0.69 PARP1 (0.39) IKBKBPARP1
SCHEMBL4151886 0.65 PTPRC (0.44) RIPK1CCNT1CCND1CCNCCDK8
SCHEMBL15559344 0.65 KDM4E (0.36) PARP1
SCHEMBL7083112 0.64 PARP1 (0.47) MAPTPARP1SYK
SCHEMBL23991991 0.63 RIPK1 (0.37) RIPK1CCNT1CCND1CCNCCDK8
SCHEMBL5925880 0.63 PTPRC (0.45) RIPK1CCNT1CCND1CCNCCDK8
SCHEMBL31205138 0.63 RIPK1 (0.48) RIPK1CCNT1CCND1CCNCCDK8
SCHEMBL28805611 0.63 KDM4E (0.38) GAAPARP1BTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 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 (1 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 RIPK1 503/4885CCNT1 1031/4885CCND1 1012/4885

“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.