SCHEMBL1333952

SCHEMBL1333952

CC[C@H]1CC[C@H](Nc2ncc(-c3ccc(OC(C)C)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK6 Q16659 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MAP4K4 O95819 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CDK4 P11802 1/20 0.36
GSK3B P49841 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
MAPK10 P53779 4/20 0.35
MAPK8 P45983 3/20 0.35
ACACB O00763 3/20 0.35
MAPK9 P45984 2/20 0.35
ACACA Q13085 1/20 0.35
SYK P43405 1/20 0.35
JUN P05412 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1333948 1.00 KDM4E (0.40) KDM4EALDH1A1MAPK6EGLN1MAP4K4
SCHEMBL1332189 0.89 GALR2 (0.40) ALDH1A1MAPK6GRIN1GRIN2BIRAK4
SCHEMBL1332192 0.89 GALR2 (0.40) ALDH1A1MAPK6GRIN1GRIN2BIRAK4
SCHEMBL1334209 0.86 GRM5 (0.41) KDM4EALDH1A1MAPK6EGLN1MAP4K4
SCHEMBL1334210 0.86 GRM5 (0.41) KDM4EALDH1A1MAPK6EGLN1MAP4K4
SCHEMBL1033079 0.86 KDM4E (0.50) KDM4EALDH1A1EGLN1MAP4K4CDK4
SCHEMBL1034806 0.85 KDM4E (0.49) KDM4EALDH1A1MAP4K4CDK4MAPK10
SCHEMBL1032982 0.82 PTPN5 (0.37) KDM4EALDH1A1MAPK6EGLN1MAP4K4
SCHEMBL12125234 0.82 PTPN5 (0.37) KDM4EALDH1A1MAPK6EGLN1MAP4K4
SCHEMBL1032981 0.82 PTPN5 (0.37) KDM4EALDH1A1MAPK6EGLN1MAP4K4

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-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 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-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS KDM4E 4417/4885ALDH1A1 1880/4885MAPK6 3590/4885

“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.