SCHEMBL1333997

SCHEMBL1333997

CC1CCC(Nc2ncc(-c3ccc(OC4CCOCC4)nc3)c(OC3CCOC3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
HSD11B1 P28845 3/20 0.38
MAPK1 P28482 4/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
PIK3CA P42336 2/20 0.36
EGFR P00533 2/20 0.36
ITK Q08881 2/20 0.36
MAPK10 P53779 2/20 0.35
ACACB O00763 3/20 0.35
JUN P05412 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
PIK3R1 P27986 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL1333993 1.00 GRM5 (0.39) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL1333991 1.00 GRM5 (0.39) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL1334469 0.90 CDK4 (0.38) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL1333321 0.90 CDK4 (0.38) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL1334471 0.90 CDK4 (0.38) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL1333323 0.90 CDK4 (0.38) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL1333319 0.90 CDK4 (0.38) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL14290816 0.89 GRM5 (0.40) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL14230959 0.89 GRM5 (0.40) GRM5HSD11B1MAPK1MAPK8MAPK9
SCHEMBL14230956 0.89 GRM5 (0.40) GRM5HSD11B1MAPK1MAPK8MAPK9

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 GRM5 2764/4885HSD11B1 4788/4885MAPK1 4410/4885

“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.