SCHEMBL1332872

SCHEMBL1332872

COc1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2OCC2CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
PIK3CA P42336 3/20 0.41
GRM5 P41594 1/20 0.41
KCNH2 Q12809 1/20 0.39
FYN P06241 1/20 0.39
SYK P43405 2/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
CDK4 P11802 1/20 0.38
GSK3B P49841 1/20 0.38
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MELK Q14680 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37

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
SCHEMBL1332871 1.00 PDE10A (0.48) PDE10APIK3CAGRM5KCNH2FYN
SCHEMBL1332929 0.92 PDE10A (0.48) PDE10APIK3CAGRM5KCNH2SYK
SCHEMBL1332924 0.92 PDE10A (0.48) PDE10APIK3CAGRM5KCNH2SYK
SCHEMBL1332233 0.86 PDE10A (0.41) PDE10APIK3CAGRM5SYKCDK4
SCHEMBL1332236 0.86 PDE10A (0.41) PDE10APIK3CAGRM5SYKCDK4
SCHEMBL1334045 0.85 GRM5 (0.40) PDE10APIK3CAGRM5KCNH2SYK
SCHEMBL1334044 0.85 GRM5 (0.40) PDE10APIK3CAGRM5KCNH2SYK
SCHEMBL1332237 0.83 IRAK4 (0.39) PDE10AGRM5CDK4GSK3BMAPK10
SCHEMBL1332239 0.83 IRAK4 (0.39) PDE10AGRM5CDK4GSK3BMAPK10
SCHEMBL1332919 0.82 MAPK8 (0.44) GRM5SYKFLT3TYRO3MERTK

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 PDE10A 707/4885PIK3CA 240/4885GRM5 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.