SCHEMBL1034596

SCHEMBL1034596

COc1nc(NC2CCCCC2)ncc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.62
GABBR1 Q9UBS5 4/20 0.62
GALR2 O43603 3/20 0.54
GALR1 P47211 3/20 0.54
SYK P43405 2/20 0.46
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
AGER Q15109 1/20 0.41
BCL6 P41182 1/20 0.40
ULK1 O75385 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
SCHEMBL1031806 0.90 GABBR2 (0.53) GABBR2GABBR1GALR2GALR1SYK
SCHEMBL1031808 0.90 GABBR2 (0.53) GABBR2GABBR1GALR2GALR1SYK
SCHEMBL1033667 0.85 GALR2 (0.54) GABBR2GABBR1GALR2GALR1AXL
SCHEMBL1032968 0.84 GABBR2 (0.61) GABBR2GABBR1GALR2GALR1SYK
SCHEMBL1033501 0.83 GALR2 (0.43) GABBR2GABBR1GALR2GALR1AXL
SCHEMBL1032027 0.82 GABBR2 (0.57) GABBR2GABBR1GALR2GALR1SYK
SCHEMBL1034543 0.81 GABBR2 (0.58) GABBR2GABBR1GALR2GALR1SYK
SCHEMBL1034396 0.79 GABBR2 (0.55) GABBR2GABBR1GALR2GALR1SYK
SCHEMBL1034610 0.77 GALR2 (0.53) GABBR2GABBR1GALR2GALR1SYK
SCHEMBL1031403 0.77 GABBR2 (0.48) GABBR2GABBR1GALR2GALR1SYK

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 GABBR2 1369/4885GABBR1 1484/4885GALR2 4500/4885

“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.