SCHEMBL21167296

SCHEMBL21167296

CC(C)(C)n1ccc2cc(-c3cnc4c(ccn4C(C)(C)C)c3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.36
GSK3B P49841 1/20 0.31
GLO1 Q04760 3/20 0.31
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL22388539 0.88 CNR2 (0.36) APP
SCHEMBL26596996 0.82 PIK3CB (0.34) SRC
SCHEMBL18125589 0.82 KCNH2 (0.33)
SCHEMBL26014245 0.82 IRAK4 (0.35) APP
SCHEMBL26853977 0.81 BRD4 (0.38) GLO1
SCHEMBL18852736 0.80 PARP1 (0.35)
SCHEMBL26433112 0.78 CDK4 (0.33)
SCHEMBL26433102 0.78 ABL1 (0.33) ABL1
SCHEMBL22388585 0.77
SCHEMBL5021603 0.74 MKNK2 (0.42)

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-20200224234-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS OF USE IN VIVO THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-07-16 US disclosed
US-20190218257-A1 NOVEL NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-18 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 (2 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-20190218257-A1 NOVEL NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF SLC35B2, SLC29A2, PNP APP 3839/4885GSK3B 4091/4885GLO1 2397/4885
US-20200224234-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS OF USE IN VIVO THEREOF NUDT1, DNTT, TRMT1 APP 1991/4885GSK3B 4233/4885GLO1 1803/4885

“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.