SCHEMBL1034751

SCHEMBL1034751

FC(F)(F)Oc1ccccc1-c1cnc(NC2CCCCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.48
S1PR1 P21453 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
CAMKK2 Q96RR4 1/20 0.42
SCN9A Q15858 2/20 0.41
TRPA1 O75762 1/20 0.41
GALR2 O43603 2/20 0.41
GALR1 P47211 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 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
SCHEMBL1033283 0.80 KDM4E (0.51) AGERKDM4EGAAHDAC3HDAC1
SCHEMBL1032027 0.79 GABBR2 (0.57) KDM4EGAAGABBR2GABBR1GALR2
SCHEMBL1034610 0.79 GALR2 (0.53) AGERKDM4EGABBR2GABBR1SCN9A
SCHEMBL1034532 0.78 GALR2 (0.51) KDM4EGAAGABBR2GABBR1GALR2
SCHEMBL1034543 0.77 GABBR2 (0.58) KDM4EGAAGABBR2GABBR1GALR2
SCHEMBL1034396 0.75 GABBR2 (0.55) KDM4EGAAGABBR2GABBR1GALR2
SCHEMBL6887143 0.74 KDM4E (0.59) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL1031099 0.74 GALR2 (0.52) KDM4EGAAGABBR2GABBR1SCN9A
SCHEMBL17436127 0.73 SCN9A (0.49) S1PR1KDM4ESCN9ATRPA1ALOX5AP
SCHEMBL6886534 0.73 KDM4E (0.56) KDM4EGAAHDAC3HDAC1HDAC2

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 AGER 1513/4885S1PR1 862/4885KDM4E 4417/4885

“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.