SCHEMBL1032647

SCHEMBL1032647

CC1CCC(Nc2ncc(-c3ccc(OC(C)C)cc3)c(O[C@@H]3CCOC3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.39
GRM5 P41594 1/20 0.38
HSD11B1 P28845 4/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 1/20 0.37
ACACB O00763 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
CDK4 P11802 1/20 0.34
GSK3B P49841 1/20 0.34
LRRK2 Q5S007 1/20 0.34
IDH1 O75874 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL12125243 1.00 MAPK1 (0.39) MAPK1GRM5HSD11B1MAPK8MAPK9
SCHEMBL1332249 1.00 MAPK1 (0.39) MAPK1GRM5HSD11B1MAPK8MAPK9
SCHEMBL1332253 1.00 MAPK1 (0.39) MAPK1GRM5HSD11B1MAPK8MAPK9
SCHEMBL1032650 1.00 MAPK1 (0.39) MAPK1GRM5HSD11B1MAPK8MAPK9
SCHEMBL1032648 1.00 MAPK1 (0.39) MAPK1GRM5HSD11B1MAPK8MAPK9
SCHEMBL1333951 0.95 MAPK8 (0.39) MAPK1GRM5HSD11B1MAPK8MAPK9
SCHEMBL1333954 0.95 MAPK8 (0.39) MAPK1GRM5HSD11B1MAPK8MAPK9
SCHEMBL1334443 0.92 CNR2 (0.39) MAPK1GRM5MAPK8MAPK9MAPK10
SCHEMBL1033719 0.92 CNR2 (0.39) MAPK1GRM5MAPK8MAPK9MAPK10
SCHEMBL1033715 0.92 CNR2 (0.39) MAPK1GRM5MAPK8MAPK9MAPK10

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
WO-2011008931-A2 ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2011-01-20 WO claimed
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 MAPK1 4410/4885GRM5 2764/4885HSD11B1 4788/4885

“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.