SCHEMBL4465989

SCHEMBL4465989

CC1CCCC=C1c1cnc2c(c1)c(-c1cnn(C)c1)cn2S

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.36
AXL P30530 2/20 0.34
IRAK1 P51617 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MERTK Q12866 1/20 0.33
PIK3CA P42336 2/20 0.32
LRRK2 Q5S007 2/20 0.32
BRD4 O60885 1/20 0.32
MARK3 P27448 6/20 0.32
TYRO3 Q06418 1/20 0.32
ACVR1 Q04771 1/20 0.31

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
SCHEMBL4471983 0.80 PSMB5 (0.39) CREBBPAXLMERTKLRRK2BRD4
SCHEMBL2752474 0.79 PDPK1 (0.44) BRD4
SCHEMBL4472998 0.79 PSMB5 (0.44) CREBBPAXLMERTKLRRK2BRD4
SCHEMBL4455992 0.79 ACVR1 (0.33) CREBBPAXLIRAK1IRAK4MERTK
SCHEMBL2751947 0.79 ALK (0.51)
SCHEMBL4458424 0.78 PSMB5 (0.43) CREBBPAXLMERTKLRRK2BRD4
SCHEMBL4471182 0.77 PTPN11 (0.34) CREBBPAXLIRAK1IRAK4MERTK
SCHEMBL4458083 0.77 CREBBP (0.34) CREBBPAXLIRAK1IRAK4MERTK
SCHEMBL4461635 0.75 CREBBP (0.45) CREBBPAXLIRAK1IRAK4MERTK
SCHEMBL4459215 0.74 CREBBP (0.41) CREBBPAXLIRAK1IRAK4MERTK

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.