SCHEMBL2430587

SCHEMBL2430587

CC#Cc1c(NC(=O)C(C)(C)C)ccc(Cl)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 17/20 0.42
PDK2 Q15119 17/20 0.42
PDK3 Q15120 17/20 0.42
PDK4 Q16654 17/20 0.42
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2433013 0.87 PDK1 (0.38) PDK1PDK2PDK3PDK4MEN1
SCHEMBL1291381 0.79 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL29624959 0.79 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2432483 0.78 MEN1 (0.44) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4417950 0.76 PDK1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL13482713 0.70 L3MBTL1 (0.43) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL24997071 0.69 TACR1 (0.40) MEN1KMT2AALDH1A1MAPT
SCHEMBL14254880 0.67 PDK1 (0.69) PDK1PDK2PDK3PDK4MEN1
SCHEMBL31718129 0.67 PDK1 (0.69) PDK1PDK2PDK3PDK4MEN1
SCHEMBL14637963 0.67 LMNA (0.46) PDK1PDK2PDK3PDK4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 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 (3 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-20090264482-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA PDK1 1225/4885PDK2 1755/4885PDK3 761/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA PDK1 1225/4885PDK2 1755/4885PDK3 761/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 PDK1 1545/4885PDK2 1767/4885PDK3 844/4885

“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.