SCHEMBL12755331

SCHEMBL12755331

CC(C)(C)c1cc2cc[nH]c(=O)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.37
JAK2 O60674 2/20 0.36
RPS6KA3 P51812 2/20 0.36
MELK Q14680 2/20 0.36
IKBKB O14920 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
FYN P06241 1/20 0.36
RET P07949 1/20 0.36
HCK P08631 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL15451016 0.79 KDM4E (0.44) CHEK1JAK2RPS6KA3MELKDAO
SCHEMBL8028377 0.71 DAO (0.36) CHEK1JAK2RPS6KA3MELKDAO
SCHEMBL12755333 0.71 PIM1 (0.38) CHEK1JAK2RPS6KA3MELKIKBKB
SCHEMBL4319071 0.70 CHEK1 (0.44) CHEK1JAK2RPS6KA3MELKIKBKB
SCHEMBL15068024 0.67 PARP1 (0.50) CHEK1JAK2RPS6KA3MELKAURKB
SCHEMBL17811240 0.67 KIF11 (0.44) MAPK14DAOALDH1A1KDM4EHPGD
SCHEMBL12755271 0.67 DAO (0.50) DAOALDH1A1KDM4EGAAHPGD
SCHEMBL28268865 0.67 IKBKB (0.42) CHEK1JAK2RPS6KA3MELKIKBKB
SCHEMBL25890965 0.67 JAK2 (0.47) CHEK1JAK2RPS6KA3MELKIKBKB
SCHEMBL571512 0.66 DAO (0.40) DAOALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 CHEK1 199/4885JAK2 321/4885RPS6KA3 54/4885

“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.