SCHEMBL1334210

SCHEMBL1334210

CC(C)Oc1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAP4K4 O95819 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CDK4 P11802 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK10 P53779 4/20 0.37
MAPK8 P45983 4/20 0.37
ACACB O00763 2/20 0.37
MAPK9 P45984 2/20 0.37
ACACA Q13085 1/20 0.37
SYK P43405 1/20 0.37
JUN P05412 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CD38 P28907 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1334209 1.00 GRM5 (0.41) GRM5KDM4EALDH1A1MAP4K4IRAK4
SCHEMBL1033079 0.89 KDM4E (0.50) KDM4EALDH1A1MAP4K4CDK4MAPK10
SCHEMBL1334057 0.88 GALR2 (0.42) GRM5IRAK4MAPK10JUNMAPK1
SCHEMBL1334058 0.88 GALR2 (0.42) GRM5IRAK4MAPK10JUNMAPK1
SCHEMBL1034806 0.88 KDM4E (0.49) KDM4EALDH1A1MAP4K4CDK4MAPK10
SCHEMBL1333948 0.86 KDM4E (0.40) KDM4EALDH1A1MAP4K4IRAK4CDK4
SCHEMBL1333952 0.86 KDM4E (0.40) KDM4EALDH1A1MAP4K4IRAK4CDK4
SCHEMBL1332135 0.85 GABRA1 (0.43) GRM5ALDH1A1MAP4K4IRAK4GSK3B
SCHEMBL1032982 0.85 PTPN5 (0.37) KDM4EALDH1A1MAP4K4IRAK4CDK4
SCHEMBL1032981 0.85 PTPN5 (0.37) KDM4EALDH1A1MAP4K4IRAK4CDK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068863-A2 PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2010-06-17 WO claimed
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 GRM5 2764/4885KDM4E 4417/4885ALDH1A1 1880/4885

“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.