SCHEMBL4894672

SCHEMBL4894672

COc1nc(NC(=O)c2c(F)cc(F)cc2F)c(C(=O)OC(C)(C)C)n1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.34
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NTSR1 P30989 1/20 0.33
HTR1F P30939 4/20 0.33
GRM5 P41594 3/20 0.33
NR3C2 P08235 2/20 0.33
CHRM5 P08912 1/20 0.33
DRD5 P21918 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33
OPRK1 P41145 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL4788798 0.88 RAB9A (0.37) RAB9AHTTMAPTHTR1FGRM5
SCHEMBL4885880 0.83 CNR1 (0.39) RAB9AMAPTMAPK1NPC1CYP1A2
SCHEMBL4786438 0.82 CNR1 (0.43) RAB9ALMNAMAPTNPC1L3MBTL1
SCHEMBL4892358 0.77 MAPK1 (0.45) MAPK14RAB9AHTTLMNAHSP90AA1
SCHEMBL4899257 0.77 GRN (0.42) RAB9AMAPTMAPK1L3MBTL1
SCHEMBL14020621 0.77 KDM4E (0.34) RAB9ALMNAMAPTNPC1KDM4E
SCHEMBL4891117 0.76 ENPP2 (0.40) MAPTGRM5KDM4E
SCHEMBL4897158 0.76 MAPT (0.41) HTTLMNAMAPTMETKDM4E
SCHEMBL4897212 0.75 KDM4E (0.42) RAB9ALMNAMAPTMAPK1NPC1
SCHEMBL4897672 0.74 FFAR2 (0.40) LMNAMAPTL3MBTL1SMN1; SMN2

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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US claimed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 MAPK14 2797/4885RAB9A 648/4885HTT 4092/4885

“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.