SCHEMBL4740641

SCHEMBL4740641

Cc1c(F)cc(C(=O)Nc2ccon2)cc1I

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
GAA P10253 1/20 0.51
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 4/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 3/20 0.44
LCK P06239 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42

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
SCHEMBL14077653 0.87 SMN1; SMN2 (0.56) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL4684166 0.84 SMN1; SMN2 (0.53) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL1233477 0.80 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL14077643 0.78 SMN1; SMN2 (0.47) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL13948888 0.77 HDAC1 (0.41) RAB9ACYP2C19NPC1
SCHEMBL3890906 0.75 SMN1; SMN2 (0.62) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL4680753 0.75 MAPK14 (0.46) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL2214850 0.73 MAPK14 (0.46) TSHRALDH1A1RAB9AMAPK14LCK
SCHEMBL1233320 0.73 RAB9A (0.65) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL4225169 0.72 SIRT2 (0.44) MAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide CHANDI AMRIK 2008-09-04 US disclosed
US-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide CHANDI AMRIK 2008-09-04 US disclosed
EP-1891061-A1 N-(2, 2-DIMETHYLPROPYL) -6- (3-FLUORO-5- ( (3-ISOXAZOLYLAMINO) CARBONYL) -2-METHYLPHENY L) -3-PYRIDINECARBOXAMIDE SmithKline Beecham Corporation (US) 2008-02-27 EP disclosed
WO-2006134382-A1 N-(2, 2-DIMETHYLPROPYL) -6- (3-FLUORO-5- ( (3-ISOXAZOLYLAMINO) CARBONYL) -2-METHYLPHENY L) -3-PYRIDINECARBOXAMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-12-21 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-20080214623-A1 N-(2,2-Dimethylpropyl)-6- -3-Pyridinecarboxamide MAPKAPK2, MAP3K2, MAP4K2 SMN1; SMN2 741/4885GAA 3239/4885KDM4E 3046/4885

“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.