SCHEMBL1334530

SCHEMBL1334530

COc1nc(NC2CCC(C)CC2)ncc1-c1ccc(S(C)(=O)=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
GRM5 P41594 1/20 0.44
CDK1 P06493 12/20 0.42
CDK2 P24941 12/20 0.42
CDK4 P11802 11/20 0.42
CCND1 P24385 11/20 0.42
JUN P05412 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK8 P45983 1/20 0.39
CASK O14936 1/20 0.39
ROCK2 O75116 1/20 0.39
CDKL5 O76039 1/20 0.39
STK10 O94804 1/20 0.39
CDK14 O94921 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
MAK P20794 1/20 0.39
CDK11B P21127 1/20 0.39
TTK P33981 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL1334531 1.00 PDE10A (0.44) PDE10AGRM5CDK1CDK2CDK4
SCHEMBL1332875 0.81 GRM5 (0.43) PDE10AGRM5CDK1CDK2CDK4
SCHEMBL1332877 0.81 GRM5 (0.43) PDE10AGRM5CDK1CDK2CDK4
SCHEMBL3418540 0.81 GRM5 (0.43) GRM5CDK1CDK2CDK4CCND1
SCHEMBL3418538 0.81 GRM5 (0.43) GRM5CDK1CDK2CDK4CCND1
SCHEMBL1034813 0.80 GRM5 (0.48) GRM5CDK1CDK2CDK4CCND1
SCHEMBL1034814 0.80 GRM5 (0.48) GRM5CDK1CDK2CDK4CCND1
SCHEMBL1334198 0.79 CDK4 (0.43) PDE10AGRM5CDK1CDK2CDK4
SCHEMBL1334197 0.79 CDK4 (0.43) PDE10AGRM5CDK1CDK2CDK4
SCHEMBL1333315 0.78 MAPK8 (0.47) GRM5CDK1CDK2CDK4CCND1

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 707/4885GRM5 2764/4885CDK1 3853/4885

“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.