SCHEMBL1334401

SCHEMBL1334401

COc1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2O[C@@H]2CCOC2)c(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
GRM5 P41594 1/20 0.39
CDK4 P11802 2/20 0.36
GSK3B P49841 1/20 0.36
PIK3CA P42336 1/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
PDE1B Q01064 1/20 0.34
HSD11B1 P28845 3/20 0.33
MAPK1 P28482 1/20 0.33
LRRK2 Q5S007 2/20 0.33
CDK2 P24941 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 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
SCHEMBL1334397 1.00 MAPK8 (0.39) MAPK8MAPK9GRM5CDK4GSK3B
SCHEMBL1334410 1.00 MAPK8 (0.39) MAPK8MAPK9GRM5CDK4GSK3B
SCHEMBL1332220 0.88 GRM5 (0.47) MAPK8GRM5CDK4GSK3BPIK3CA
SCHEMBL1332223 0.88 GRM5 (0.47) MAPK8GRM5CDK4GSK3BPIK3CA
SCHEMBL1333372 0.83 LRRK2 (0.38) MAPK8MAPK9GRM5PDE1BMAPK1
SCHEMBL1333363 0.83 LRRK2 (0.38) MAPK8MAPK9GRM5PDE1BMAPK1
SCHEMBL1333361 0.83 LRRK2 (0.38) MAPK8MAPK9GRM5PDE1BMAPK1
SCHEMBL14231044 0.81 GRM5 (0.42) MAPK8MAPK9GRM5MAPK1TYK2
SCHEMBL1333991 0.81 GRM5 (0.39) MAPK8MAPK9GRM5PIK3CAHSD11B1
SCHEMBL1333993 0.81 GRM5 (0.39) MAPK8MAPK9GRM5PIK3CAHSD11B1

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

“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.