SCHEMBL4455992

SCHEMBL4455992

CC1CCC=C(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.33
LRRK2 Q5S007 2/20 0.32
BRD4 O60885 1/20 0.32
IRAK1 P51617 4/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
AXL P30530 2/20 0.32
CREBBP Q92793 2/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MERTK Q12866 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
PIK3CA P42336 1/20 0.31
DRD2 P14416 1/20 0.31
ALK Q9UM73 2/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL4471182 0.83 PTPN11 (0.34) ACVR1LRRK2BRD4IRAK1IRAK4
SCHEMBL4471983 0.82 PSMB5 (0.39) ACVR1LRRK2BRD4AXLCREBBP
SCHEMBL4458676 0.82 LRRK2 (0.32) LRRK2BRD4IRAK1IRAK4CREBBP
SCHEMBL4472998 0.81 PSMB5 (0.44) LRRK2BRD4AXLCREBBPMERTK
SCHEMBL4458424 0.81 PSMB5 (0.43) LRRK2BRD4AXLCREBBPMERTK
SCHEMBL2753411 0.79 PDPK1 (0.46) BRD4
SCHEMBL4465989 0.79 CREBBP (0.36) ACVR1LRRK2BRD4IRAK1IRAK4
SCHEMBL4458083 0.79 CREBBP (0.34) ACVR1LRRK2BRD4IRAK1IRAK4
SCHEMBL2753985 0.79 ALK (0.51) ALK
SCHEMBL4456938 0.77 ALK (0.34) LRRK2BRD4IRAK1IRAK4CREBBP

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
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 ACVR1 4392/4885LRRK2 454/4885BRD4 780/4885

“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.