SCHEMBL4457799

SCHEMBL4457799

CCN(C(C)C)C1CCC(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
LRRK2 Q5S007 1/20 0.34
CREBBP Q92793 2/20 0.31
CHEK1 O14757 2/20 0.31
PRMT5 O14744 1/20 0.31
GRM2 Q14416 2/20 0.31
PIK3CA P42336 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 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
SCHEMBL4460642 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL4453963 0.88 MAPK8 (0.40) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL10227760 0.88 MAPK8 (0.40) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL4466997 0.86 MAPK8 (0.43) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL4467752 0.86 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL4454330 0.86 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL4479520 0.85 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL4453961 0.85 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL10227439 0.84 MAPK8 (0.38) MAPK8MAPK9MAPK10LRRK2CREBBP
SCHEMBL10226067 0.84 MAPK8 (0.45) MAPK8MAPK9MAPK10CREBBPCHEK1

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 MAPK8 26/4885MAPK9 20/4885MAPK10 11/4885

“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.