SCHEMBL4471182

SCHEMBL4471182

CC1CC=C(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.34
LRRK2 Q5S007 2/20 0.32
BRD4 O60885 1/20 0.32
IRAK1 P51617 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
AXL P30530 2/20 0.32
CREBBP Q92793 2/20 0.32
ALK Q9UM73 2/20 0.32
ACVR1 Q04771 1/20 0.31
MERTK Q12866 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
TYRO3 Q06418 1/20 0.31
PIK3CG P48736 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
SCHEMBL10227411 0.87 ALK (0.34) PTPN11IRAK1IRAK4AXLALK
SCHEMBL4471444 0.84 BRD4 (0.35) PTPN11BRD4IRAK1IRAK4AXL
SCHEMBL4465826 0.84 ACVR1 (0.44) PTPN11LRRK2IRAK4ACVR1
SCHEMBL4455992 0.83 ACVR1 (0.33) LRRK2BRD4IRAK1IRAK4AXL
SCHEMBL4454293 0.83 MAPK8 (0.43) PTPN11LRRK2IRAK1IRAK4ACVR1
SCHEMBL4471983 0.82 PSMB5 (0.39) LRRK2BRD4AXLCREBBPALK
SCHEMBL4472998 0.81 PSMB5 (0.44) LRRK2BRD4AXLCREBBPALK
SCHEMBL4458083 0.81 CREBBP (0.34) LRRK2BRD4IRAK1IRAK4AXL
SCHEMBL4458424 0.81 PSMB5 (0.43) LRRK2BRD4AXLCREBBPALK
SCHEMBL4457136 0.80 MAPK8 (0.46) PTPN11LRRK2IRAK1IRAK4ACVR1

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 PTPN11 382/4885LRRK2 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.