SCHEMBL1334471

SCHEMBL1334471

CC(C)Oc1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2O[C@@H]2CCOC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
GSK3B P49841 1/20 0.38
HSD11B1 P28845 6/20 0.38
ACACB O00763 4/20 0.37
GRM5 P41594 1/20 0.37
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
MAPK1 P28482 3/20 0.34
ACACA Q13085 1/20 0.34
JUN P05412 1/20 0.33
TYK2 P29597 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL1333319 1.00 CDK4 (0.38) CDK4GSK3BHSD11B1ACACBGRM5
SCHEMBL1333321 1.00 CDK4 (0.38) CDK4GSK3BHSD11B1ACACBGRM5
SCHEMBL1333323 1.00 CDK4 (0.38) CDK4GSK3BHSD11B1ACACBGRM5
SCHEMBL1334469 1.00 CDK4 (0.38) CDK4GSK3BHSD11B1ACACBGRM5
SCHEMBL1333993 0.90 GRM5 (0.39) HSD11B1ACACBGRM5MAPK8MAPK9
SCHEMBL1333997 0.90 GRM5 (0.39) HSD11B1ACACBGRM5MAPK8MAPK9
SCHEMBL1333991 0.90 GRM5 (0.39) HSD11B1ACACBGRM5MAPK8MAPK9
SCHEMBL1032650 0.89 MAPK1 (0.39) CDK4GSK3BHSD11B1ACACBGRM5
SCHEMBL1332253 0.89 MAPK1 (0.39) CDK4GSK3BHSD11B1ACACBGRM5
SCHEMBL12125243 0.89 MAPK1 (0.39) CDK4GSK3BHSD11B1ACACBGRM5

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-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
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 WO 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 CDK4 2340/4885GSK3B 4700/4885HSD11B1 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.