SCHEMBL4459215

SCHEMBL4459215

CC1CCCC(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
IRAK1 P51617 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CHEK1 O14757 8/20 0.35
PIK3CA P42336 2/20 0.34
AXL P30530 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
LRRK2 Q5S007 1/20 0.34
MERTK Q12866 1/20 0.33

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
SCHEMBL4461635 0.89 CREBBP (0.45) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4465149 0.88 CREBBP (0.46) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL10227421 0.88 CREBBP (0.46) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4453731 0.87 MAPK8 (0.45) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4460300 0.83 MAPK8 (0.35) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4454161 0.81 MAPK8 (0.41) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4469060 0.81 CREBBP (0.40) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4457497 0.81 MAPK8 (0.43) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4469646 0.81 MAPK8 (0.37) CREBBPMAPK8MAPK9MAPK10IRAK1
SCHEMBL4453734 0.80 MAPK8 (0.56) CREBBPMAPK8MAPK9MAPK10IRAK1

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.