SCHEMBL4454383

SCHEMBL4454383

Cc1c(-c2cn(S)c3ncc(C4CCC(=O)CC4)cc23)cnn1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.34
MAP4K1 Q92918 1/20 0.32
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
APOBEC3A P31941 1/20 0.30
CHRM5 P08912 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
SCHEMBL4457539 0.83 KIT (0.33) CREBBPPRMT5WDR77
SCHEMBL4454161 0.83 MAPK8 (0.41) CREBBP
SCHEMBL10226287 0.82 IRAK4 (0.31) MAP4K1
SCHEMBL4458870 0.80 MAPK8 (0.51)
SCHEMBL4454373 0.80 MAPK8 (0.51)
SCHEMBL2754922 0.80 BRD4 (0.38) CREBBPKDM4EALDH1A1
SCHEMBL12652254 0.77 GRM5 (0.32)
SCHEMBL12652262 0.77 KDM4E (0.31) KDM4E
SCHEMBL4461627 0.75 SYK (0.30)
SCHEMBL12652348 0.73 SPR (0.31) ALDH1A1

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 CREBBP 373/4885MAP4K1 46/4885PRMT5 268/4885

“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.