SCHEMBL17464320

SCHEMBL17464320

CC(C)(C)[Si](C)(C)OCCCCCNc1ccn2ncc(Br)c2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.38
KDR P35968 1/20 0.38
PIM1 P11309 15/20 0.37
PIM2 Q9P1W9 8/20 0.37
DUT P33316 1/20 0.36
CHEK1 O14757 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CDK2 P24941 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PIM3 Q86V86 1/20 0.34

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
SCHEMBL16154316 0.87 DUT (0.38) RETKDRPIM1PIM2DUT
SCHEMBL15894530 0.84 RET (0.35) RETKDRPIM1PIM2DUT
SCHEMBL17077959 0.83 RET (0.41) RETKDRPIM1PIM2PIM3
SCHEMBL17464322 0.81 DUT (0.38) DUT
SCHEMBL15891374 0.81 RET (0.40) RETKDRPIM1PIM2CSNK2A2
SCHEMBL30103007 0.81 PIM1 (0.40) RETKDRPIM1PIM2
SCHEMBL19269809 0.78 PIM1 (0.41) RETKDRPIM1PIM2
SCHEMBL15261632 0.78 PIM1 (0.45) RETKDRPIM1PIM2CHEK1
SCHEMBL15261764 0.77 PIM1 (0.44) RETPIM1PIM2
SCHEMBL19252601 0.76 PIM1 (0.38) RETPIM1PIM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024114-A1 MACROCYCLIC RIP2 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2016-01-28 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-20160024114-A1 MACROCYCLIC RIP2 KINASE INHIBITORS RIPK2, RIPK1, RIPK3 RET 280/4885KDR 1809/4885PIM1 329/4885

“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.