SCHEMBL1033033

SCHEMBL1033033

CN(C)c1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2OC2CCOC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
SYK P43405 2/20 0.35
MAPK1 P28482 7/20 0.35
HSD11B1 P28845 3/20 0.35
JUN P05412 1/20 0.35
MAPK10 P53779 1/20 0.35
MTOR P42345 1/20 0.35
TYK2 P29597 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL1033032 1.00 GRM5 (0.39) GRM5MAPK8MAPK9SYKMAPK1
SCHEMBL1034758 0.96 GRM5 (0.39) GRM5MAPK8MAPK9SYKMAPK1
SCHEMBL1034756 0.96 GRM5 (0.39) GRM5MAPK8MAPK9SYKMAPK1
SCHEMBL1334231 0.94 MAPK8 (0.41) GRM5MAPK8MAPK9SYKMAPK1
SCHEMBL1334229 0.94 MAPK8 (0.41) GRM5MAPK8MAPK9SYKMAPK1
SCHEMBL14231040 0.87 GRM5 (0.40) GRM5MAPK8MAPK9MAPK1HSD11B1
SCHEMBL14290801 0.87 GRM5 (0.40) GRM5MAPK8MAPK9MAPK1HSD11B1
SCHEMBL14231039 0.87 GRM5 (0.40) GRM5MAPK8MAPK9MAPK1HSD11B1
SCHEMBL14231041 0.87 GRM5 (0.40) GRM5MAPK8MAPK9MAPK1HSD11B1
SCHEMBL1333993 0.87 GRM5 (0.39) GRM5MAPK8MAPK9MAPK1HSD11B1

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 4 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-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 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 GRM5 2764/4885MAPK8 3599/4885MAPK9 3460/4885

“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.