SCHEMBL4461635

SCHEMBL4461635

Cn1cc(-c2cn(S)c3ncc(C4CCCC4)cc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.45
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
PIK3CA P42336 2/20 0.40
AXL P30530 2/20 0.40
CHEK1 O14757 7/20 0.38
IRAK1 P51617 2/20 0.38
MERTK Q12866 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
KDR P35968 1/20 0.37
TYRO3 Q06418 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL4465149 0.99 CREBBP (0.46) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL10227421 0.99 CREBBP (0.46) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL4453731 0.91 MAPK8 (0.45) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL4459215 0.89 CREBBP (0.41) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL4457497 0.89 MAPK8 (0.43) CREBBPMAPK8MAPK9MAPK10AXL
SCHEMBL4454161 0.89 MAPK8 (0.41) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL4455952 0.88 MAPK8 (0.56) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL4453734 0.88 MAPK8 (0.56) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL4482109 0.88 MAPK8 (0.41) CREBBPMAPK8MAPK9MAPK10PIK3CA
SCHEMBL10226067 0.88 MAPK8 (0.45) CREBBPMAPK8MAPK9MAPK10PIK3CA

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 373/4885MAPK8 26/4885MAPK9 20/4885

“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.