SCHEMBL1334058

SCHEMBL1334058

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.42
GALR1 P47211 2/20 0.42
CNR2 P34972 2/20 0.42
GRM5 P41594 2/20 0.42
MAPK1 P28482 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
DRD1 P21728 1/20 0.36
JUN P05412 1/20 0.36
MAPK10 P53779 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
LMNA P02545 1/20 0.35
MAT2A P31153 1/20 0.35
HPGDS O60760 1/20 0.35
MAPK6 Q16659 1/20 0.35
ABL1 P00519 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
SCHEMBL1334057 1.00 GALR2 (0.42) GALR2GALR1CNR2GRM5MAPK1
SCHEMBL1334210 0.88 GRM5 (0.41) GRM5MAPK1IRAK4JUNMAPK10
SCHEMBL1334209 0.88 GRM5 (0.41) GRM5MAPK1IRAK4JUNMAPK10
SCHEMBL1030129 0.88 GALR2 (0.50) GALR2GALR1MAPK1HDAC6DRD1
SCHEMBL1029335 0.87 GALR2 (0.52) GALR2GALR1MAPK1HDAC6DRD1
SCHEMBL1332189 0.86 GALR2 (0.40) GALR2GALR1CNR2GRM5MAPK1
SCHEMBL1332192 0.86 GALR2 (0.40) GALR2GALR1CNR2GRM5MAPK1
SCHEMBL1031097 0.85 GALR2 (0.42) GALR2GALR1CNR2MAPK1IRAK4
SCHEMBL1031098 0.85 GALR2 (0.42) GALR2GALR1CNR2MAPK1IRAK4
SCHEMBL1033809 0.85 GALR2 (0.39) GALR2GALR1GRM5MAPK1IRAK4

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 4245/4885CNR2 836/4885

“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.