SCHEMBL6520007

SCHEMBL6520007

CC(C)NC(=O)c1ccc(F)c(-c2nc(C(=O)O)c(NC(=O)OC(C)(C)C)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.37
PIM3 Q86V86 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
LCK P06239 9/20 0.36
MLYCD O95822 1/20 0.36
PDK2 Q15119 1/20 0.35
TBK1 Q9UHD2 2/20 0.35
TRPA1 O75762 1/20 0.35
BRD4 O60885 2/20 0.34
IKBKE Q14164 1/20 0.34

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
SCHEMBL6524886 0.86 CYP17A1 (0.36) LCKTBK1IKBKE
SCHEMBL2523163 0.85 PIM1 (0.36) PIM1LCK
SCHEMBL14800615 0.84 PIM1 (0.37) PIM1LCK
SCHEMBL6524464 0.84 ACVR1B (0.40) PIM1LCK
SCHEMBL2521268 0.83 LCK (0.37) LCK
SCHEMBL2518575 0.82 NPC1 (0.38) LCK
SCHEMBL2523289 0.81 MAPT (0.39) LCK
SCHEMBL2525712 0.79 AAK1 (0.40) LCK
SCHEMBL28048977 0.77 S1PR3 (0.34) LCK
SCHEMBL2522570 0.77 LCK (0.38) PIM1LCK

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 6 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
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 PIM1 1/4885PIM3 2/4885PIM2 3/4885

“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.