SCHEMBL1033501

SCHEMBL1033501

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.43
GALR1 P47211 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
GABBR2 O75899 3/20 0.42
GABBR1 Q9UBS5 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AXL P30530 4/20 0.40
TYRO3 Q06418 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 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
SCHEMBL1033667 0.90 GALR2 (0.54) GALR2GALR1GABBR2GABBR1AXL
SCHEMBL1032767 0.90 GRM5 (0.43) POLBMAPTGABBR2GABBR1KDM4E
SCHEMBL1032768 0.90 GRM5 (0.43) POLBMAPTGABBR2GABBR1KDM4E
SCHEMBL12125236 0.90 GRM5 (0.43) POLBMAPTGABBR2GABBR1KDM4E
SCHEMBL1034596 0.83 GABBR2 (0.62) GALR2GALR1MAPTGABBR2GABBR1
SCHEMBL1034806 0.83 KDM4E (0.49) GALR2GALR1POLBMAPTGABBR2
SCHEMBL1033079 0.82 KDM4E (0.50) GALR2GALR1POLBMAPTGABBR2
SCHEMBL1074812 0.81 GABBR2 (0.41) GABBR2GABBR1ALDH1A1
SCHEMBL1028883 0.81 GALR2 (0.44) GALR2GALR1GABBR2GABBR1AXL
SCHEMBL1028884 0.81 GALR2 (0.44) GALR2GALR1GABBR2GABBR1AXL

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 4245/4885POLB 385/4885

“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.