SCHEMBL1334037

SCHEMBL1334037

CC1CCC(Nc2ncc(-c3ccc(OC(C)C)cc3)c(OCC3CCOCC3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
PIK3C3 Q8NEB9 2/20 0.37
GRM5 P41594 1/20 0.37
LRRK2 Q5S007 4/20 0.37
CNR2 P34972 1/20 0.35
MELK Q14680 2/20 0.34
PIK3CD O00329 1/20 0.34
GSK3B P49841 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
SCHEMBL1334039 1.00 MAPK1 (0.41) MAPK1MAPK8MAPK9MAPK10IRAK4
SCHEMBL12955864 1.00 MAPK1 (0.41) MAPK1MAPK8MAPK9MAPK10IRAK4
SCHEMBL1030097 0.95 IRAK4 (0.40) MAPK1MAPK8MAPK9MAPK10IRAK4
SCHEMBL1030099 0.95 IRAK4 (0.40) MAPK1MAPK8MAPK9MAPK10IRAK4
SCHEMBL1332939 0.93 GRM5 (0.40) MAPK1PIK3C3GRM5LRRK2CNR2
SCHEMBL1332938 0.93 GRM5 (0.40) MAPK1PIK3C3GRM5LRRK2CNR2
SCHEMBL1332239 0.89 IRAK4 (0.39) MAPK1MAPK8MAPK9MAPK10IRAK4
SCHEMBL1332237 0.89 IRAK4 (0.39) MAPK1MAPK8MAPK9MAPK10IRAK4
SCHEMBL1333253 0.88 CNR2 (0.40) MAPK1IRAK4PIK3C3GRM5CNR2
SCHEMBL1333255 0.88 CNR2 (0.40) MAPK1IRAK4PIK3C3GRM5CNR2

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 MAPK1 4410/4885MAPK8 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.