SCHEMBL21151891

SCHEMBL21151891

CCCC(C)(C)c1c[nH]c2nccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CDK1 P06493 2/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
PDPK1 O15530 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
CHEK2 O96017 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL12223458 0.78 MAPK1 (0.50) MAPK1CDK1GSK3AGSK3BCDC7
SCHEMBL19738344 0.78 KDM4A (0.31)
SCHEMBL20048870 0.76 GPR84 (0.49) GSK3BCDC7PDPK1MAP4K4CDK2
SCHEMBL24001454 0.70 LATS1 (0.38)
SCHEMBL19286544 0.69 PRKCI (0.46) GSK3BAURKAJAK2MAP4K4PAK4
SCHEMBL12244242 0.67 MAPK1 (0.50) MAPK1CDK1GSK3AGSK3BCDC7
SCHEMBL21945803 0.67 CNR2 (0.36) CDK1GSK3AGSK3BCCNB2CCNB1
SCHEMBL12605495 0.66 MAPK1 (0.41) MAPK1CDK1GSK3AGSK3BCDC7
SCHEMBL4878480 0.64 MAPK1 (0.56) MAPK1CDK1GSK3AGSK3BLRRK2
SCHEMBL21369323 0.63 KDM4E (0.45) MAPK1

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-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 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-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAPK1 88/4885CDK1 125/4885GSK3A 202/4885

“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.