SCHEMBL1332898

SCHEMBL1332898

C[C@H]1CC[C@H](Nc2ncc(-c3ccc(OCC#N)cc3)c(OC3CCC3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KDM1A O60341 1/20 0.34
PDE10A Q9Y233 2/20 0.34
SYK P43405 1/20 0.34
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CTSK P43235 1/20 0.33
CHEK1 O14757 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
SCHEMBL1332899 1.00 GRM5 (0.39) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1033651 0.92 JAK2 (0.37) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1033650 0.92 JAK2 (0.37) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1334187 0.91 MAPK8 (0.38) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1334189 0.91 MAPK8 (0.38) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1334221 0.89 CNR1 (0.37) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1332925 0.89 CNR1 (0.37) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1334218 0.89 CNR1 (0.37) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1031377 0.89 CNR1 (0.37) GRM5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1031371 0.89 CNR1 (0.37) GRM5KCNH2KDM4EALDH1A1MAPT

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 GRM5 2764/4885KCNH2 2719/4885KDM4E 4417/4885

“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.