SCHEMBL1033809

SCHEMBL1033809

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.39
GALR1 P47211 2/20 0.39
HPGDS O60760 1/20 0.38
HDAC6 Q9UBN7 1/20 0.35
ULK1 O75385 2/20 0.35
SCN5A Q14524 1/20 0.35
MAPK1 P28482 3/20 0.35
DRD1 P21728 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAT2A P31153 1/20 0.34
GRM5 P41594 1/20 0.34
AOC3 Q16853 1/20 0.34
MAP4K1 Q92918 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
ABL1 P00519 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
SCHEMBL1033807 1.00 GALR2 (0.39) GALR2GALR1HPGDSHDAC6ULK1
SCHEMBL12125234 0.89 PTPN5 (0.37) ULK1IRAK4GABBR2GABBR1
SCHEMBL1032982 0.89 PTPN5 (0.37) ULK1IRAK4GABBR2GABBR1
SCHEMBL1032981 0.89 PTPN5 (0.37) ULK1IRAK4GABBR2GABBR1
SCHEMBL1030129 0.86 GALR2 (0.50) GALR2GALR1HDAC6ULK1MAPK1
SCHEMBL1334058 0.85 GALR2 (0.42) GALR2GALR1HPGDSHDAC6MAPK1
SCHEMBL1334057 0.85 GALR2 (0.42) GALR2GALR1HPGDSHDAC6MAPK1
SCHEMBL1029335 0.85 GALR2 (0.52) GALR2GALR1HDAC6ULK1MAPK1
SCHEMBL1332189 0.82 GALR2 (0.40) GALR2GALR1HDAC6MAPK1IRAK4
SCHEMBL1332192 0.82 GALR2 (0.40) GALR2GALR1HDAC6MAPK1IRAK4

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-2011008931-A2 ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2011-01-20 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 GALR2 4500/4885GALR1 4245/4885HPGDS 302/4885

“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.