SCHEMBL4684166

SCHEMBL4684166

Cc1c(F)cc(C(=O)Nc2ccon2)cc1B(O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
LCK P06239 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 1/20 0.41

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 0.86 SMN1; SMN2 (0.56) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL4740641 0.84 SMN1; SMN2 (0.54) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL14077643 0.77 SMN1; SMN2 (0.47) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL3890906 0.74 SMN1; SMN2 (0.62) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL14161063 0.74 MAPK14 (0.43) RAB9AKMT2APOLBLCKMAPK14
SCHEMBL4680753 0.74 MAPK14 (0.46) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL20332878 0.73 SMN1; SMN2 (0.55) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL1233320 0.72 RAB9A (0.65) SMN1; SMN2GAAKDM4ETSHRALDH1A1
SCHEMBL14077639 0.71 HDAC1 (0.44) TSHRALDH1A1L3MBTL1HPGD
SCHEMBL28321600 0.70 SMN1; SMN2 (0.70) SMN1; SMN2KDM4ETSHRL3MBTL1HTT

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 5 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
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.