SCHEMBL6520564

SCHEMBL6520564

CC(C)(C)OC(=O)Nc1sc(-c2c(Cl)cccc2Cl)nc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.47
TYK2 P29597 4/20 0.43
P2RX7 Q99572 1/20 0.38
SCN3A Q9NY46 1/20 0.36
JAK2 O60674 1/20 0.36
ATR Q13535 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL2522295 0.87 NPC1 (0.46) LCKP2RX7GAAHPGDMEN1
SCHEMBL6523055 0.87 LCK (0.47) LCKGAAMEN1NPC1RAB9A
SCHEMBL2522933 0.86 PIM1 (0.41) LCKGAAMEN1NPC1RAB9A
SCHEMBL2520080 0.83 KMT2A (0.45) LCKNPC1RAB9AKMT2AABL1
SCHEMBL2521682 0.83 KDM4E (0.48) LCKGAAHPGDMEN1NPC1
SCHEMBL2524367 0.82 KDM4E (0.48) LCKGAAMEN1NPC1RAB9A
SCHEMBL2518546 0.79 LCK (0.37) LCKRAB9A
SCHEMBL2518575 0.79 NPC1 (0.38) LCKGAAMEN1NPC1RAB9A
SCHEMBL2519144 0.79 LCK (0.44) LCKGAALMNAHPGDMEN1
SCHEMBL2520688 0.79 USP30 (0.40) LCKGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102625807-B 4-Substituted pyridin-3-yl-carboxamide compounds and methods of use HOFFMAN-LA ROCHE LTD. (CH) 2016-03-09 CN disclosed
EP-2475659-B1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-10-28 EP disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
CN-102625807-A 4-substituted pyridin-3-yl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2012-08-01 CN disclosed
EP-2475659-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 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-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 LCK 64/4885TYK2 84/4885P2RX7 2994/4885

“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.