SCHEMBL4469060

SCHEMBL4469060

CC1CCCCC1c1cnc2c(c1)c(-c1cnn(C)c1)cn2S

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.40
AXL P30530 4/20 0.37
IRAK1 P51617 4/20 0.36
MERTK Q12866 3/20 0.36
PIK3CA P42336 2/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
TYRO3 Q06418 4/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
BRD4 O60885 1/20 0.33
LRRK2 Q5S007 2/20 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 0.86 CREBBP (0.45) CREBBPAXLIRAK1MERTKPIK3CA
SCHEMBL4474475 0.86 IRAK1 (0.39) CREBBPAXLIRAK1MAPK8MAPK9
SCHEMBL10227421 0.85 CREBBP (0.46) CREBBPAXLIRAK1MERTKPIK3CA
SCHEMBL4465149 0.85 CREBBP (0.46) CREBBPAXLIRAK1MERTKPIK3CA
SCHEMBL4458901 0.83 CREBBP (0.37) CREBBPAXLIRAK1MERTKPIK3CA
SCHEMBL4453731 0.82 MAPK8 (0.45) CREBBPAXLIRAK1MERTKPIK3CA
SCHEMBL4459215 0.81 CREBBP (0.41) CREBBPAXLIRAK1MERTKPIK3CA
SCHEMBL2754302 0.78 PDPK1 (0.41) CREBBPMAPK8TYRO3BRD4
SCHEMBL4457497 0.78 MAPK8 (0.43) CREBBPAXLIRAK1MERTKMAPK8
SCHEMBL4454161 0.78 MAPK8 (0.41) CREBBPAXLIRAK1PIK3CAMAPK8

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 373/4885AXL 4101/4885IRAK1 458/4885

“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.