SCHEMBL4458676

SCHEMBL4458676

CC1CC(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)=CC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 2/20 0.31
IRAK1 P51617 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
TPX2 Q9ULW0 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
SCHEMBL4469603 0.84 LRRK2 (0.33) LRRK2BRD4CREBBPAURKAAURKB
SCHEMBL4456938 0.82 ALK (0.34) LRRK2BRD4CREBBPIRAK1IRAK4
SCHEMBL4455992 0.82 ACVR1 (0.33) LRRK2BRD4CREBBPIRAK1IRAK4
SCHEMBL2753850 0.80 PDPK1 (0.43) BRD4
SCHEMBL2753415 0.79 ALK (0.50)
SCHEMBL4471182 0.78 PTPN11 (0.34) LRRK2BRD4CREBBPIRAK1IRAK4
SCHEMBL10227696 0.77 LRRK2 (0.33) LRRK2BRD4CREBBPAURKAAURKB
SCHEMBL4460300 0.76 MAPK8 (0.35) LRRK2BRD4CREBBPIRAK1IRAK4
SCHEMBL4458083 0.76 CREBBP (0.34) LRRK2BRD4CREBBPIRAK1IRAK4
SCHEMBL4469646 0.75 MAPK8 (0.37) LRRK2BRD4CREBBPIRAK1IRAK4

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 LRRK2 454/4885BRD4 780/4885CREBBP 373/4885

“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.