SCHEMBL1031099

SCHEMBL1031099

FC(F)(F)Oc1ccc(Oc2cnc(NC3CCCCC3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.52
GALR1 P47211 2/20 0.52
GABBR2 O75899 1/20 0.51
GABBR1 Q9UBS5 1/20 0.51
SYK P43405 2/20 0.47
EPHX2 P34913 3/20 0.46
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ULK1 O75385 1/20 0.41
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL1032027 0.86 GABBR2 (0.57) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL1034543 0.85 GABBR2 (0.58) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL1034396 0.82 GABBR2 (0.55) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL1034532 0.77 GALR2 (0.51) GALR2GALR1GABBR2GABBR1KDM4E
SCHEMBL1032968 0.77 GABBR2 (0.61) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL1333239 0.76 GABBR2 (0.49) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL1333238 0.76 GABBR2 (0.49) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL12127078 0.76 GABBR2 (0.49) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL1034610 0.76 GALR2 (0.53) GALR2GALR1GABBR2GABBR1SYK
SCHEMBL1034596 0.75 GABBR2 (0.62) GALR2GALR1GABBR2GABBR1SYK

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 5 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-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
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 GALR2 4500/4885GALR1 4245/4885GABBR2 1369/4885

“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.