SCHEMBL1332192

SCHEMBL1332192

CC[C@H]1CC[C@H](Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.40
GALR1 P47211 2/20 0.40
MAPK1 P28482 3/20 0.40
MAPK6 Q16659 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CNR2 P34972 2/20 0.35
GRM5 P41594 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
JUN P05412 1/20 0.34
MAPK10 P53779 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1332189 1.00 GALR2 (0.40) GALR2GALR1MAPK1MAPK6GRIN1
SCHEMBL1333952 0.89 KDM4E (0.40) MAPK1MAPK6GRIN1GRIN2BIRAK4
SCHEMBL1333948 0.89 KDM4E (0.40) MAPK1MAPK6GRIN1GRIN2BIRAK4
SCHEMBL1334058 0.86 GALR2 (0.42) GALR2GALR1MAPK1MAPK6IRAK4
SCHEMBL1334057 0.86 GALR2 (0.42) GALR2GALR1MAPK1MAPK6IRAK4
SCHEMBL1030129 0.85 GALR2 (0.50) GALR2GALR1MAPK1GAAHDAC6
SCHEMBL1029335 0.84 GALR2 (0.52) GALR2GALR1MAPK1GAAHDAC6
SCHEMBL1033809 0.82 GALR2 (0.39) GALR2GALR1MAPK1GRIN2BIRAK4
SCHEMBL1033807 0.82 GALR2 (0.39) GALR2GALR1MAPK1GRIN2BIRAK4
SCHEMBL1028909 0.81 IDH1 (0.43) GALR2GALR1HDAC6MAPK10

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 2 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

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 4245/4885MAPK1 4410/4885

“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.