SCHEMBL14218663

SCHEMBL14218663

CC(C)OC(=O)c1nc(Cl)c(-c2ccc(F)cc2F)c(N[C@@H](C)C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.36
ALPL P05186 1/20 0.34
ABL1 P00519 2/20 0.32
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
PTGES O14684 1/20 0.31
KMO O15229 1/20 0.31
MAPT P10636 2/20 0.31
GCGR P47871 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA2B P29275 2/20 0.30
CTSA P10619 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
SCHEMBL5098995 0.88 MAPT (0.30) MAPT
SCHEMBL14218913 0.88 MDM2 (0.42) MDM2ABL1KMO
SCHEMBL14218912 0.87 GRM2 (0.37) MDM2ABL1ALOX5APFEN1
SCHEMBL14218717 0.84 ALOX5AP (0.39) MDM2ALPLABL1ALOX5APFEN1
SCHEMBL14218919 0.84 MDM2 (0.34) MDM2ABL1ALOX5APFEN1PTGES
SCHEMBL14218664 0.76 ADORA1 (0.36) ABL1GCGR
SCHEMBL5109371 0.74 MAPK1 (0.33) MDM2
SCHEMBL13135162 0.72 MOGAT2 (0.36) MDM2ABL1ALOX5APFEN1NPC1
SCHEMBL5109023 0.71 POLB (0.36) ALPL
SCHEMBL5140205 0.71 RORC (0.30)

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-7375108-B2 2-substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-05-20 US disclosed
US-20070105873-A1 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-05-10 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-20070105873-A1 2-Substituted pyrimidines TYMP, RRM2, TYMS MDM2 359/4885ALPL 3807/4885ABL1 1044/4885

“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.