SCHEMBL4474475

SCHEMBL4474475

Cn1cc(-c2cn(S)c3ncc(C4CCC[C@H]4O)cc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 11/20 0.39
MARK3 P27448 4/20 0.37
CREBBP Q92793 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
AXL P30530 1/20 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
SCHEMBL4469060 0.86 CREBBP (0.40) IRAK1CREBBPIRAK4MAPK8MAPK9
SCHEMBL4458901 0.84 CREBBP (0.37) IRAK1CREBBPIRAK4MAPK8MAPK9
SCHEMBL4461635 0.83 CREBBP (0.45) IRAK1CREBBPIRAK4MAPK8MAPK9
SCHEMBL4465149 0.82 CREBBP (0.46) IRAK1CREBBPMAPK8MAPK9MAPK10
SCHEMBL10227421 0.82 CREBBP (0.46) IRAK1CREBBPMAPK8MAPK9MAPK10
SCHEMBL4459215 0.80 CREBBP (0.41) IRAK1CREBBPIRAK4MAPK8MAPK9
SCHEMBL2753897 0.79 PDPK1 (0.41) IRAK1MARK3
SCHEMBL16374490 0.79 PDPK1 (0.41) IRAK1MARK3
SCHEMBL4403767 0.79 PDPK1 (0.41) IRAK1MARK3
SCHEMBL4453731 0.79 MAPK8 (0.45) IRAK1CREBBPIRAK4MAPK8MAPK9

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 IRAK1 458/4885MARK3 113/4885CREBBP 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.