SCHEMBL4456938

SCHEMBL4456938

CC1C=C(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)CC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.34
LRRK2 Q5S007 1/20 0.32
BRD4 O60885 1/20 0.32
IRAK1 P51617 2/20 0.32
CREBBP Q92793 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
TPX2 Q9ULW0 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
SCHEMBL4458083 0.83 CREBBP (0.34) ALKLRRK2BRD4IRAK1CREBBP
SCHEMBL4458676 0.82 LRRK2 (0.32) LRRK2BRD4IRAK1CREBBPIRAK4
SCHEMBL4469603 0.81 LRRK2 (0.33) ALKLRRK2BRD4CREBBPAURKA
SCHEMBL2752522 0.79 PDPK1 (0.44) ALKBRD4
SCHEMBL2753729 0.79 ALK (0.56) ALK
SCHEMBL10227696 0.77 LRRK2 (0.33) ALKLRRK2BRD4CREBBPAURKA
SCHEMBL4455992 0.77 ACVR1 (0.33) ALKLRRK2BRD4IRAK1CREBBP
SCHEMBL4471182 0.77 PTPN11 (0.34) ALKLRRK2BRD4IRAK1CREBBP
SCHEMBL4469646 0.76 MAPK8 (0.37) LRRK2BRD4IRAK1CREBBPIRAK4
SCHEMBL4471983 0.76 PSMB5 (0.39) ALKLRRK2BRD4CREBBPAURKA

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 ALK 1981/4885LRRK2 454/4885BRD4 780/4885

“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.