SCHEMBL1034532

SCHEMBL1034532

FC(F)(F)Oc1cccc(-c2cnc(NC3CCCCC3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.51
GALR1 P47211 2/20 0.51
PIM1 P11309 14/20 0.48
KCNH2 Q12809 2/20 0.48
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
PIM2 Q9P1W9 2/20 0.44
FLT3 P36888 1/20 0.44
MAP4K1 Q92918 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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 0.85 GABBR2 (0.57) GALR2GALR1GABBR2GABBR1KDM4E
SCHEMBL1034543 0.83 GABBR2 (0.58) GALR2GALR1GABBR2GABBR1KDM4E
SCHEMBL1034396 0.81 GABBR2 (0.55) GALR2GALR1GABBR2GABBR1KDM4E
SCHEMBL1035407 0.80 FYN (0.55) PIM1KDM4EGAA
SCHEMBL1034610 0.79 GALR2 (0.53) GALR2GALR1KCNH2GABBR2GABBR1
SCHEMBL1034751 0.78 AGER (0.48) GALR2GALR1GABBR2GABBR1KDM4E
SCHEMBL1031099 0.77 GALR2 (0.52) GALR2GALR1KCNH2GABBR2GABBR1
SCHEMBL15117121 0.76 CASR (0.41) PIM1KCNH2PIM2MAP4K1
SCHEMBL2672690 0.76 MAP4K1 (0.47) PIM1KCNH2PIM2FLT3MAP4K1
SCHEMBL6887143 0.75 KDM4E (0.59) FLT3KDM4EGAA

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 4245/4885PIM1 3726/4885

“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.